ethyl 3,5,5-trimethyl hexanoate
3,5,5-trimethyl hexanoic acid ethyl ester
 
Notes:
None found
  • Associate Allied Chemicals
    • Associate Allied Chemicals
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      Melusat
       
  • Augustus Oils
    • Augustus Oils Ltd
      The Premier Supplier
      Augustus Oils Ltd, in harmony with nature - to present it at its best...
      A wealth of experience, expertise and knowledge has allowed Augustus to bridge the gulf in expectation and trust between growers and users of natural ingredients. The Company works in partnership with customers on the one hand, and growers, farmers and distillers on the other. Both users and producers can then focus on exactly what they do best, while skilled Augustus technicians closely monitor and control the delivered product. This ensures users can have the confidence that they will receive the best raw materials suited to their requirements.
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  • 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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      Product(s):
      05-71200 ETHYL-3,5,5-TRIMETHYLHEXANOATE
       
  • The Lermond Company
    • The Lermond Company
      Your Sourcing Resource
      The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
      The Lermond Company is a women-owned distributor of raw materials primarily servicing the flavor and fragrance industry. For three generations, members of the Lermond family have been integral sourcing partners for the North American flavor and fragrance industry. We supply high quality essential oils, aroma chemicals, absolutes, concretes, resinoids and floral waters from around the world to the global industry.
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  • Ernesto Ventós
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CAS Number: 67707-75-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 266-959-4
FDA UNII: Search
Nikkaji Web: J333.323J
XlogP3-AA: 3.50 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86000 @  25.00 °C.
Refractive Index: 1.41800 to 1.42200 @  20.00 °C.
Boiling Point: 83.00 to  85.00 °C. @ 16.00 mm Hg
Vapor Pressure: 0.470000 mmHg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 3.941 (est)
Soluble in:
 alcohol
 water, 15.62 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 most media
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
Substantivity: 8 hour(s) at 100.00 %
 
 fruity  apple green apple  winey  yeasty  floral  
Odor Description:
at 100.00 %. 
fruity green apple wine yeast floral
Luebke, William tgsc, (1987)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Associate Allied Chemicals
Melusat
About
Augustus Oils
Melusat
Services
Ernesto Ventós
MELUSAT
Odor: FRUITY, FLOWERY WITH APPLE NOTE
Kao Corporation
MELUSAT
Odor: Fruity, flowery with apple-and wine yeast-note
Penta International
ETHYL-3,5,5-TRIMETHYLHEXANOATE
Stort Chemicals
Melusat
The Lermond Company
MELUSAT
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Safety Information:
 
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-mouse LD50  5200 mg/kg
Luebke, William tgsc, (1987)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl 3,5,5-trimethyl hexanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for ethyl 3,5,5-trimethyl hexanoate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3017783
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 ethyl 3,5,5-trimethylhexanoate
Chemidplus: 0067707759
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References:
 ethyl 3,5,5-trimethylhexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 67707-75-9
Pubchem (cid): 3017783
Pubchem (sid): 135249658
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
isoamyl benzoateFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
citrus
2-heptanolFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
2-methyl valeraldehydeFL/FR
2-methyl-1-butanolFL/FR
fatty
 butyl undecylenateFL/FR
3-decen-2-oneFL/FR
 methyl (E)-2-hexenoateFL/FR
fermented
 amyl alcoholFL/FR
 hexanal diethyl acetalFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
 propyl nonanoateFL/FR
floral
 boronia absoluteFL/FR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
 dimethyl anthranilateFL/FR
 methyl citronellateFL/FR
 phenethyl butyrateFL/FR
fruity
 acetaldehyde hexyl isoamyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cyclohexyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
(E)-alpha-damasconeFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dimethyl succinateFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 farnesyl acetoneFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl acetoacetateFL/FR
 green acetateFR
 heptanal cyclic ethylene acetalFR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl isovalerateFL/FR
 methyl nonanoateFL/FR
 nerolidyl isobutyrateFR
 nonyl isovalerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentanoneFL/FR
2-pentyl furanFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propyl 2-methyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
 rhubarb undecaneFR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
(E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-oneFR
 tropical indeneFR
 tropical thiazoleFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
 butyl heptanoateFL/FR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 manzanate (Givaudan)FL/FR
 methyl (E)-3-hexenoateFL/FR
3-octyl formateFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
 propyl tiglateFL/FR
 violet dienyneFR
herbal
isoamyl tiglateFL/FR
 ethyl chrysanthemateFR
 phenethyl senecioateFL/FR
honey
 methyl hydrocinnamateFL/FR
spicy
 cinnamyl isovalerateFL/FR
tropical
beta-cyclocitralFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
woody
lariciu pine needle oilFR
 verdoxanFR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde hexyl isoamyl acetalFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
 butyl angelateFL/FR
 cyclohexyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
(Z)-alpha-damasconeFL/FR
alpha-decalactoneFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 farnesyl acetoneFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl acetoacetateFL/FR
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl hydrocinnamateFL/FR
 nonyl isovalerateFL/FR
 phenethyl senecioateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propyl 2-methyl butyrateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
 propyl nonanoateFL/FR
 propyl tiglateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alliaceous
 tropical thiazoleFL/FR
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
cooling
 manzanate (Givaudan)FL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
isobutyl alcoholFL/FR
2-methyl-1-butanolFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 methyl citronellateFL/FR
fruity
isoamyl 2-methyl butyrateFL/FR
isoamyl acetoacetateFL/FR
isoamyl benzoateFL/FR
isoamyl octanoateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 boronia absoluteFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
2-heptanolFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl isovalerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
fusel
 amyl alcoholFL/FR
green
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
 benzaldehyde dimethyl acetalFL/FR
3-decen-2-oneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
tropical
beta-cyclocitralFL/FR
vegetable
2-methyl valeraldehydeFL/FR
2-octen-4-oneFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl butyrateFL/FR
 butyl undecylenateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
3-octyl formateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 appleFR
 floralFR
 fruitFR
 greenFR
 yeastFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 ethyl 3,5,5-trimethylhexanoate
 ethyl-3,5,5-trimethylhexanoate
 hexanoic acid, 3,5,5-trimethyl-, ethyl ester
 melusat
3,3,5-trimethyl ethyl caproate
3,3,5-trimethyl ethyl hexanoate
3,5,5-trimethyl hexanoic acid ethyl ester
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