sec-butyl acetate
2-butyl acetate
 
Notes:
None found
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      US Fax: (973) 740-1839
      Product(s):
      02-48850 sec-BUTYL ACETATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      US Email: Sales
      US Voice: (404) 524-6744
      US Fax: (404) 577-1651
      Inquiry
      Products List: View
      Product(s):
      W2224 sec-butyl acetate
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      Email: Technical Support
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      Product(s):
      A0025 sec-Butyl Acetate >98.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 105-46-4Picture of molecule3D/inchi
Other(deleted CASRN): 116698-48-7
ECHA EINECS - REACH Pre-Reg: 203-300-1
FDA UNII: UVH2QII6CG
Nikkaji Web: J4.030D
Beilstein Number: 1720689
MDL: MFCD00009328
CoE Number: 10527
XlogP3: 1.70 (est)
Molecular Weight: 116.16004000
Formula: C6 H12 O2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Also(can) Contains: (-)-sec-butyl acetate
 (+)-sec-butyl acetate
EFSA/JECFA Comments: Racemate.
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 09.323  sec-butyl acetate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.86700 to 0.87300 @  25.00 °C.
Pounds per Gallon - (est).: 7.214 to  7.264
Refractive Index: 1.38500 to 1.39100 @  20.00 °C.
Melting Point: -98.90 °C. @ 760.00 mm Hg
Boiling Point: 111.00 °C. @ 760.00 mm Hg
Vapor Pressure: 17.000000 mmHg @ 20.00 °C.
Vapor Density: 4.0 ( Air = 1 )
Flash Point: 62.00 °F. TCC ( 16.67 °C. )
logP (o/w): 1.720
Soluble in:
 alcohol
 water, 6200 mg/L @ 20 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: solvent
 
 solvent  fruity  banana  
Odor Description:
at 100.00 %. 
solvent fruity banana
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Inoue Perfumery
SEC-BUTYL ACETATE
Penta International
sec-BUTYL ACETATE
Santa Cruz Biotechnology
For experimental / research use only.
sec-Butyl Acetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
sec-Butyl Acetate 99%
Synerzine
sec-butyl acetate
TCI AMERICA
For experimental / research use only.
sec-Butyl Acetate >98.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 66 - Repeated exposure may cause skin dryness or cracking.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  3200 mg/kg
National Technical Information Service. Vol. OTS0556683

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LCLo 24000 ppm/4H
National Technical Information Service. Vol. OTS0556683

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Safety in Use Information:
Category: flavoring agents
Recommendation for sec-butyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf
Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
EPI System: View
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 105-46-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7758
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1123
WGK Germany: 3
 butan-2-yl acetate
Chemidplus: 0000105464
EPA/NOAA CAMEO: hazardous materials
RTECS: 105-46-4
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References:
Leffingwell: Chirality or Article
 butan-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 105-46-4
Pubchem (cid): 7758
Pubchem (sid): 134971161
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.39.9050
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
Formulations/Preparations:
•polyvinyl acetate is avail commercially in us in emulsion & resin forms. most polyvinyl acetate is not a homopolymer but rather a copolymer; predominant comonomers are n-butyl acrylate, 2-ethylhexyl acrylate & ethylene; minor comonomers incl dibutyl maleate & dibutyl fumarate. comonomers are used to impart a plasticizing or hardening effect on polyvinyl acetate. polyvinyl acetate copolymers are generally regarded as "polyvinyl acetate" as long as the copolymer contains at least 60% vinyl acetate units (avg vinyl acetate content of these copolymers is believed to be about 85%). polyvinyl acetate emulsions usually contain about 55% resin in an aq soln; however, emulsions are avail with a solids content of 48%. emulsions are compounded with thickeners, flow control & suspension agents, plasticizers, biocides, pigments & fillers to achieve desired properties. •(a) spray-dryed emulsion solids with avg particle sizes of 2-20 um (b) 25-50 wt% pvac solidemulsionsin methyl & ethyl alcoholbase(c) 48-55 wt% pvac solid emulsions are the typical formula in commercial products
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Potential Blenders and core components note
 
For Odor
caramellic
 maltyl isobutyrateFL/FR
ethereal
 butyl acetateFL/FR
 cyclohexyl formateFL/FR
 methyl acetateFL/FR
isopropyl acetateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
floral
 benzyl acetoacetateFL/FR
 citronellyl acetateFL/FR
 phenethyl acetateFL/FR
fruity
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 butyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 furfuryl acetateFL/FR
 methyl 4-methyl valerateFL/FR
2-pentyl butyrateFL/FR
 prenyl acetateFL/FR
 propyl acetateFL/FR
 propyl isobutyrateFL/FR
isopropyl octanoateFL/FR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(E)-2-hexen-1-yl formateFL/FR
3-hexenyl acetateFL/FR
1-penten-3-olFL/FR
herbal
2-pentyl acetateFL/FR
 viridiflorolFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
isoamyl decanoateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
 diethyl maleateFL
 ethyl 3-octenoateFL
3-hexenyl acetateFL/FR
 viridiflorolFL/FR
 benzyl acetoacetateFL/FR
alliaceous
 tropical thiazoleFL/FR
dairy
2-pentyl acetateFL/FR
estery
 furfuryl acetateFL/FR
 propyl acetateFL/FR
ethereal
 butyl acetateFL/FR
 methyl acetateFL/FR
isopropyl acetateFL/FR
floral
 citronellyl acetateFL/FR
 tropical iononeFL/FR
fruity
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 butyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 methyl 4-methyl valerateFL/FR
2-pentyl butyrateFL/FR
 prenyl acetateFL/FR
 propyl isobutyrateFL/FR
isopropyl octanoateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 cassis pentanoneFL/FR
 cyclohexyl formateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
2-ethyl-5-methyl thiopheneFL
 heptanal dimethyl acetalFL/FR
1-penten-3-olFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
isoamyl decanoateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 banana fruit
Search Trop  Picture
 beans
Search  PMC Picture
 beer
Search  PMC Picture
 cheese cheddar cheese
Search  PMC Picture
 cheese gruyere cheese
Search  PMC Picture
 cheese parmesan cheese
Search  PMC Picture
 coffee
Search  PMC Picture
 potato baked potato
Search Trop  Picture
 rum
Search  PMC Picture
 sauromatum guttatum
Search Trop  Picture
 vinegar - up to 67 mg/kg
Search  Picture
 walnut english walnut
Search Trop  Picture
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Synonyms:
 acetic acid 1-methyl propyl ester
 acetic acid 1-methylpropyl ester
 acetic acid 2-butoxy ester
 acetic acid methylpropyl ester
 acetic acid sec-butyl ester
 acetic acid secondary butyl ester
 acetic acid, 1-methylpropyl ester
 acetic acid, 2-butoxy ester
 acetic acid, sec-butyl ester
2-acetoxybutane
 butan-2-yl acetate
2-butanol acetate
2-butyl acetate
DL-sec-butyl acetate
sec-butyl alcohol acetate
sec-butyl ester of acetic acid
sec-butyl ethanoate
sec-butylacetate
1-methylpropyl acetate
 methylpropyl ethanoate
1-methylpropyl ethanoate
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Articles:
Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
PubMed: [Determination of three ester compounds in gasoline by two-dimensional gas chromatography].
PubMed: Volatile fingerprint of Brazilian defective coffee seeds: corroboration of potential marker compounds and identification of new low quality indicators.
PubMed: Feasibility of a breath test for monitoring adherence to vaginal administration of antiretroviral microbicide gels.
PubMed: A novel breath test to directly measure use of vaginal gel and condoms.
PubMed: Ion mobility spectrometry for detection of skin volatiles.
PubMed: Design, synthesis and antimicrobial evaluation of novel 1-benzyl 2-butyl-4-chloroimidazole embodied 4-azafluorenones via molecular hybridization approach.
PubMed: Fragrance material review on 2-methyl-4-phenyl-2-butyl acetate.
PubMed: Determination of a novel TAZ modulator, 2-butyl-5-methyl-6-(pyridine-3-yl)-3-[2'-(1H-tetrazole-5-yl)-biphenyl-4-ylmethyl]-3H imidazo[4,5-b]pyridine] (TM-25659) in rat plasma by liquid chromatography-tandem mass spectrometry.
PubMed: Losartan metabolite EXP3179 blocks NADPH oxidase-mediated superoxide production by inhibiting protein kinase C: potential clinical implications in hypertension.
PubMed: Anaerobic degradation of nonylphenol in subtropical mangrove sediments.
PubMed: Identification of pig liver esterase variants by tandem mass spectroscopy analysis and their characterization.
PubMed: New constituents related to 3-methyl-2,4-nonanedione identified in green tea.
PubMed: Hepatocellular toxicity and pharmacological effect of amiodarone and amiodarone derivatives.
PubMed: Functional expression of the gamma-isoenzyme of pig liver carboxyl esterase in Escherichia coli.
PubMed: Analysis of the loading and hydroxylation steps in lankamycin biosynthesis in Streptomyces rochei.
PubMed: Effect of boiling and roasting on the fermentation of soybeans into dawadawa (soy-dawadawa).
PubMed: Anaerobic degradability of alcohol ethoxylates and related non-ionic surfactants.
PubMed: Lipase mediated chiral resolution of 4-arylthio-2-butanol as an intermediate for beta-lactam antibiotics.
PubMed: Role of solid-phase microextraction in the identification of highly volatile pheromones of two Rhinoceros beetles Scapanes australis and Strategus aloeus (Coleoptera, Scarabaeidae, Dynastinae).
PubMed: Application of tryptamine as a derivatizing agent for the determination of airborne isocyanates. Part 7. Selection of impinger solvents and the evaluation against dimethyl sulfoxide used in US NIOSH Regulatory Method 5522.
PubMed: Oxidative cleavage of esters and amides to carbonyl products by cytochrome P450.
PubMed: Evaluation of amiodarone free radical toxicity in rat hepatocytes.
PubMed: Nonpeptide angiotensin II receptor antagonists. III. Structure-function studies.
PubMed: [Stability of esters in the blood in vitro].
PubMed: Measurement of transmembrane potentials in Rhodospirillum rubrum chromatophores with an oxacarbocyanine dye.
PubMed: Micelle formation and its relationship to solubility behavior of 2-butyl-3-benzofuranyl-4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride.
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