alpha-ionyl acetate
3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate
 
Notes:
None found
  • Taytonn ASCC
    • Taytonn ASCC Pte Ltd
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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      Product(s):
      alpha-Ionyl Acetate
       
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CAS Number: 52210-18-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 257-738-3
FDA UNII: Search
Beilstein Number: 3134520
XlogP3-AA: 3.60 (est)
Molecular Weight: 236.35468000
Formula: C15 H24 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: 90.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.93200 to 0.93700 @  25.00 °C.
Pounds per Gallon - (est).: 7.755 to  7.797
Refractive Index: 1.46900 to 1.47500 @  20.00 °C.
Boiling Point: 110.00 °C. @ 2.00 mm Hg
Boiling Point: 80.00 °C. @ 4.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 5.405 (est)
Soluble in:
 alcohol
 water, 0.5409 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
Substantivity: 24 hour(s) at 100.00 %
 
 sweet  woody  floral  violet  berry  
Odor Description:
at 100.00 %. 
sweet woody floral violet berry
Luebke, William tgsc, (1995)
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
alpha-IONYL ACETATE ≥91.0%, Kosher
Odor Description: floral, vetiver violet
For vetiver violet applications.
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Taytonn ASCC
alpha-Ionyl Acetate
Odor: Floral, Vetivert
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 LDLo  5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988.

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 alpha-ionyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for alpha-ionyl acetate 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 Substance Registry Services (TSCA): 52210-18-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 103607
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
Chemidplus: 0052210181
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References:
 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 52210-18-1
Pubchem (cid): 103607
Pubchem (sid): 135060242
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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: 2915.39.9500
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
pseudo-isomethyl iononeCS
pseudomethyl iononeCS
(E)-beta-methyl iononeFL/FR
acidic
 cyclohexyl acetic acidFL/FR
alliaceous
 dibutyl sulfideFL/FR
amber
 acetoxymethyl isolongifoleneFR
 amber spiroleneFR
 ambrette seed oilFL/FR
 formoxymethyl isolongifoleneFR
animal
isobutyl quinolineFR
 methyl (E)-2-octenoateFL/FR
anisic
ortho-acetanisoleFL/FR
para-anisaldehydeFL/FR
ortho-anisaldehydeFL/FR
balsamic
 benzophenoneFR
 brachyleana hutchinsii wood oilFR
isobutyl benzoateFL/FR
 cinnamyl alcoholFL/FR
 ethyl cinnamateFL/FR
 guaiacyl phenyl acetateFL/FR
 peru balsam oilFL/FR
berry
sec-butyl ethyl etherFL/FR
chocolate
 cocoa pentenalFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citrus woody floral fragranceFR
 grapefruit indeneFR
 grapefruit nitrileFR
 grapefruit pentanolFR
 myrcenyl acetateFL/FR
coumarinic
 phthalideFL/FR
creamy
para-vanillic acidFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
 patchouli cyclohexanolFR
floral
para-anisaldehyde / methyl anthranilate schiff's baseFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 boronia absoluteFL/FR
 boronia butenalFR
4-tert-butyl cyclohexane carboxaldehydeFR
 cassie absoluteFL/FR
 cassie concreteFR
delta-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
2',4'-dimethyl acetophenoneFL/FR
 dimethyl alpha-iononeFR
 dimethyl anthranilateFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
4-dimethyl iononeFR
 elder flower wood specialtyFR
 geranyl phenyl acetateFL/FR
 heliotropinFL/FR
 ho wood oilFR
alpha-ionolFL/FR
beta-ionolFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
beta-ionyl acetateFL/FR
alpha-ironeFL/FR
beta-ironeFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melaleuca ericifolia leaf oilFR
ortho-methyl acetophenoneFL/FR
beta-isomethyl iononeFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
2-methyl naphthaleneFL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 muguet carbinolFL/FR
bitter orangeflower concreteFR
 orris butenoneFR
 orris pyridine 25% IPMFR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 orris rhizome absolute replacerFR
 orris rhizome oil (iris germanica)FL/FR
 petitgrain cedrat oilFL/FR
 petitgrain oil terpenesFR
 phenethyl hexanoateFL/FR
 phenyl glycol diacetateFR
isopropyl phenyl acetateFL/FR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
 rose concrete (rosa centifolia)FR
 styralyl formateFL/FR
 tetrahydroionolFR
 tobacco flower absoluteFR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
 vetiver pentanoneFR
 violet methyl carbonateFR
fruity
 acetyl methyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 cherry oxyacetateFL/FR
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
 ethyl methyl-para-tolyl glycidateFL/FR
 linalool oxide acetatesFL/FR
 octyl propionateFL/FR
 peach pivalateFR
 tolualdehydes (mixed o,m,p)FL/FR
 tropical iononeFL/FR
green
 bergoxaneFR
isogreen methanoindeneFR
1-heptanolFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 hexen-1-yl oxypropane nitrileFR
(E)-2-hexen-1-yl salicylateFR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonen-1-olFL/FR
2-nonyn-1-al dimethyl acetalFR
 octanal dimethyl acetalFL/FR
 phenoxyethyl isobutyrateFL/FR
 violet decenolFR
 violet dienyneFR
 violet leaf absoluteFL/FR
 violet nitrileFR
herbal
 calendula officinalis flower oil CO2 extractFR
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
 marigold pot flower oilFL/FR
mossy
 moss specialtyFR
musk
 amyris specialtyFR
 cyclohexadecanoneFR
 ethylene brassylateFL/FR
 exaltone (Firmenich)FR
dextro,laevo-musconeFL/FR
 musk amberolFR
 musk indaneFR
 musk tetralinFL/FR
omega-pentadecalactoneFL/FR
musty
 cocoa butenalFL/FR
naphthyl
para-methyl anisoleFL/FR
beta-naphthyl ethyl etherFL/FR
2,3,5-trimethyl pyrazineFL/FR
orris
beta-methyl iononeFL/FR
powdery
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 dimethyl iononeFR
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
rummy
 rum extractFL/FR
spicy
isoeugenolFL/FR
white sassafras oilFL/FR
 spicy carbonateFR
terpenic
alpha-terpineolFL/FR
tobacco
 methyl benzoxoleFL/FR
 veltonal (Bedoukian)FR
tonka
 mint lactoneFL/FR
vanilla
 heliotropyl alcoholFL/FR
 vanillyl acetateFL/FR
 vanillylidene acetoneFL/FR
waxy
 ethyl myristateFL/FR
 orris rhizome oil CO2 extractFL/FR
woody
 amber formateFR
 amyris acetateFR
 anthocephalus cadamba oilFR
 bois de rose leaf oil brazilFL/FR
isobutyl iononeFR
 cabreuva wood oilFR
 cedar cyclododecatrieneFR
 cedryl formateFR
 chloranthus spicatus absoluteFR
 cyperus root oil (cyperus rotundus)FR
2-decalinyl acetateFR
 diethyl dimethyl-2-cyclohexenoneFR
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
 guaiacwood oilFL/FR
 herbal norbornaneFR
 homalomena rubescens root oilFR
 methyl cedryl ketoneFL/FR
alpha-isomethyl ionolFR
3-methyl pentyl angelateFR
isomethyl tetrahydroionyl acetateFR
 patchouli ethanoneFR
 sandal octanolFR
 santalyl acetateFL/FR
(+)-alpha-santalyl acetateFL/FR
 timber propanolFR
 vetiveryl acetateFL/FR
 violet propanolFR
(Z)-woody amyleneFR
 woody epoxideFR
 zdravetz absoluteFR
 zdravetz oilFL/FR
 
For Flavor
 
No flavor group found for these
sec-butyl ethyl etherFL/FR
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
 heliotropyl alcoholFL/FR
 linaloe wood oil mexicoFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalool oxide acetatesFL/FR
 marigold pot flower oilFL/FR
(E)-beta-methyl iononeFL/FR
beta-isomethyl iononeFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
(+)-alpha-santalyl acetateFL/FR
white sassafras oilFL/FR
 styralyl formateFL/FR
 vetiveryl acetateFL/FR
 zdravetz oilFL/FR
isobutyl furyl propionateFL/FR
amber
 ambrette seed oilFL/FR
 musk tetralinFL/FR
anisic
ortho-anisaldehydeFL/FR
ortho-methyl acetophenoneFL/FR
apple
(E,Z)-2,6-nonadien-1-olFL/FR
balsamic
 ethyl cinnamateFL/FR
 peru balsam oilFL/FR
 vanillylidene acetoneFL/FR
berry
 dihydro-alpha-iononeFL/FR
cherry
 heliotropinFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
alpha-terpineolFL/FR
coconut
6-methyl coumarinFL
coumarinic
 phthalideFL/FR
creamy
para-anisaldehydeFL/FR
 mint lactoneFL/FR
para-vanillic acidFL/FR
cucumber
2-ethyl octine carbonateFL
estery
 octyl propionateFL/FR
fatty
(E,E)-2,4-nonadienalFL
floral
 bois de rose leaf oil brazilFL/FR
 cocoa pentenalFL/FR
 geranyl phenyl acetateFL/FR
beta-ionolFL/FR
pseudoiononeFL
alpha-iononeFL/FR
beta-ironeFL/FR
beta-methyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 muguet carbinolFL/FR
 orris rhizome oil (iris germanica)FL/FR
 rhodinolFL/FR
 tropical iononeFL/FR
fruity
 acetyl methyl anthranilateFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 boronia absoluteFL/FR
isobutyl benzoateFL/FR
 cherry oxyacetateFL/FR
 dimethyl anthranilateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 methyl (E)-2-octenoateFL/FR
alpha-methyl iononeFL/FR
 tolualdehydes (mixed o,m,p)FL/FR
green
 cinnamyl alcoholFL/FR
 cocoa butenalFL/FR
 dibutyl sulfideFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon nonenoateFL/FR
 methyl 2-undecynoateFL
 methyl heptine carbonateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonen-1-olFL/FR
 octanal dimethyl acetalFL/FR
 phenoxyethyl isobutyrateFL/FR
 violet leaf absoluteFL/FR
herbal
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
honey
isopropyl phenyl acetateFL/FR
meaty
ortho-thioguaiacolFL
musk
 ethylene brassylateFL/FR
dextro,laevo-musconeFL/FR
musty
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
 methyl benzoxoleFL/FR
oily
2-methyl naphthaleneFL/FR
 tetrahydrofurfuryl propionateFL
phenolic
 guaiacyl phenyl acetateFL/FR
powdery
ortho-acetanisoleFL/FR
beta-naphthyl ethyl etherFL/FR
 powdery ketoneFL
rummy
 rum extractFL/FR
solvent
1-heptanolFL/FR
spicy
 cassie absoluteFL/FR
isoeugenolFL/FR
sweet
 cyclohexyl acetic acidFL/FR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
vanilla
omega-pentadecalactoneFL/FR
 vanillyl acetateFL/FR
waxy
 ethyl myristateFL/FR
 phenethyl hexanoateFL/FR
 rhodinyl phenyl acetateFL/FR
woody
delta-damasconeFL/FR
3',4'-dimethoxyacetophenone 
 guaiacwood oilFL/FR
alpha-ionolFL/FR
(E)-beta-iononeFL/FR
beta-iononeFL/FR
beta-ionyl acetateFL/FR
alpha-ironeFL/FR
 methyl cedryl ketoneFL/FR
 methyl ionyl acetateFL/FR
 orris rhizome oil CO2 extractFL/FR
 santalyl acetateFL/FR
 
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Potential Uses:
 chypreFR
 floralFR
 mossFR
 orientalFR
 vetiverFR
 violetFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate
a-ionyl acetate
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate
3-(2,6,6-trimethyl-2-cyclohexen-1-yl) propen-1-yl acetate
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol acetate
4-(2,6,6-trimethyl-2-cyclohexenyl)-2-butenyl acetate
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