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3-octyl acetate

Chemical Structure

General Material Information

Preferred name 3-octyl acetate
Trivial Name 3-Octyl acetate
Short Description octan-3-yl acetate
Formula C10 H20 O2
CAS Number 4864-61-3
FEMA Number 3583
Flavis Number 9.254
ECHA Number 225-471-1
FDA UNII 8M41FR2J6W
Nikkaji Number J184.543H
MDL MFCD00015349
COE Number 2347
xLogP3-AA 3.40 (est)
NMR Predictor External link
JECFA Food Flavoring 313 3-octyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4864-61-3 ; 3-OCTYL ACETATE
Synonyms
  • acetic acid 1-ethylhexyl ester
  • N- amyl ethyl carbinyl acetate
  • amylethylcarbinyl acetate
  • 1-ethyl hexyl acetate
  • 1-ethylhexyl acetate
  • oct-3-yl ethanoate
  • octan-3-ol acetate
  • octan-3-yl acetate
  • octane, 3-acetoxy-
  • 3-octanol acetate
  • 3-octanol, acetate
  • 3 octyl acetate
  • 3-octyl acetate natural
  • octyl-3 acetate
  • 3-Octanol, 3-acetate
  • 3-Octanol, acetate
  • 3-Acetoxyoctane
  • (±)-3-Octyl acetate
  • (±)-3-Acetoxyoctane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Perfumer & Flavorists Start search
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Literature & References

octan-3-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4864-61-3
Pubchem (cid):521238
Pubchem (sid):135263203
Pherobase:View
Publications by PubMed
The volatiles of two bystropogon species from the canary islands (Spain).

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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB011794
Export Tariff Code:2915.39.9050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 172.26780700684
Boiling Point 191 to 192°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.526 mmHg @ 25 °C
Flash Point TCC Value 69.44 °C TCC
logP (o/w) 3.712 est
Solubility
alcohol Yes
fixed oils Yes
propylene glycol Yes
water, 38.59 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Herbal
fresh, bergamot, woody, green, grapefruit, rose, apple, minty, waxy, aldehydic, fatty, citrus, anisic
Odor strength medium
Substantivity 20 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. fresh bergamot woody green grapefruit rose apple mint
Mosciano, Gerard P&F 21, No. 5, 49, (1996) Green, waxy, aldehydic, fatty and citrus-like with a slightly minty, anisic nuance
Flavor Type: Green
green, oily, waxy, minty, tropical
Mosciano, Gerard P&F 21, No. 5, 49, (1996) At 10.00 ppm. Green, oily and waxy with a weak minty and tropical nuance

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Bergamot, Citrus, Jasmin, Lavender, Peach, Pear, Woody
Flavoring purposes Nut
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and 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 3-octyl acetate usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -4.40000
beverages(nonalcoholic): -4.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -2.60000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.00000
fruit ices: --
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.60000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -10.00000
soft candy: -4.00000
soups: --
sugar substitutes: --
sweet sauces: --

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 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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4864-61-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :521238
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
octan-3-yl acetate
Chemidplus:0004864613