EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isooctyl acetate
1-heptanol, 6-methyl-, acetate

Supplier Sponsors

CAS Number: 31565-19-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:250-701-2
XlogP3:3.70 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance 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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 195.00 to 196.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.413000 mmHg @ 25.00 °C. (est)
Flash Point: 171.00 °F. TCC ( 77.22 °C. )
logP (o/w): 3.686 (est)
Soluble in:
 alcohol
 water, 38.59 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet estery fruity
Odor Description:at 100.00 %. sweet estery fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoOctyl Acetate
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for isooctyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):31565-19-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :169321
National Institute of Allergy and Infectious Diseases:Data
6-methylheptyl acetate
Chemidplus:0031565192
EPA/NOAA CAMEO:hazardous materials
 
References:
 6-methylheptyl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):169321
Pubchem (sid):135126435
 
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):HMDB32070
FooDB:FDB008780
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
phenyl salicylate
FR
chemical
iso
butyl formate
FL/FR
earthy
methyl 3-hexenoate
FL/FR
floral
(Z)-4-
decen-1-yl acetate
FL/FR
beta-
ionone
FL/FR
rose undecene
FR
tea acetate
FR
tuberose acetate
FR
fruity
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
cyclohexyl crotonate
FR
2-
nonanone
FL/FR
iso
propenyl acetate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
tropical indene
FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
green carboxylate
FR
(Z)-3-
hexen-1-yl acetate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
herbal
marigold oil mexico
FL/FR
musk
musk decanolide
FR
vanilla
vanilla oleoresin bourbon
FL/FR
waxy
iso
amyl decanoate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
cheesy
cheesy
2-
nonanone
FL/FR
ethereal
iso
propenyl acetate
FL/FR
fruity
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
methyl 3-hexenoate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
green
(Z)-3-
hexen-1-yl acetate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
herbal
marigold oil mexico
FL/FR
rummy
iso
butyl formate
FL/FR
vanilla
vanilla oleoresin bourbon
FL/FR
waxy
iso
amyl decanoate
FL/FR
woody
beta-
ionone
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pummelo
Search Trop Picture
 
Synonyms:
 acetic acid 6-methylheptyl ester
 acetic acid isooctyl ester
 acetic acid, isooctyl ester
1-heptanol, 6-methyl-, acetate
6-methylheptyl acetate
isooctanol acetate
isooctanol, acetate
 

Articles:

 None found yet.
 
Notes:
Fruit food flavouring. Trace component of pummelo (Citrus grandis) oil and cheese aroma
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