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

(E)-2-hexen-1-yl octanoate
trans-2-hexenyl octanoate

Supplier Sponsors

Name:[(E)-hex-2-enyl] octanoate
CAS Number: 85554-72-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:287-605-5
FDA UNII:Q58DSI91MM
Nikkaji Web:J310.676D
XlogP3-AA:5.00 (est)
Molecular Weight:226.35962000
Formula:C14 H26 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and 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
JECFA Food Flavoring:1796 (E)-2-hexenyl octanoate
FLAVIS Number:09.841 (Old)
DG SANTE Food Flavourings:09.841 2-hexenyl octanoate
FEMA Number:4135 2-hexenyl octanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):85554-72-9 ; 2-HEXENYL OCTANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88100 to 0.88700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.331 to 7.381
Refractive Index:1.44800 to 1.45300 @ 20.00 °C.
Boiling Point: 308.00 to 309.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 5.768 (est)
Soluble in:
 alcohol
 water, 0.5682 mg/L @ 25 °C (est)
Insoluble in:
 water
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(Z)-3-hexen-1-yl octanoate
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2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
sulfuryl octanoate
 
Organoleptic Properties:
Odor Description:pear
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Octanoic acid,2-hexenyl ester, (E)- (9CI)
Beijing Lys Chemicals
trans-2-Hexenyl octanoate
BOC Sciences
For experimental / research use only.
(E)-2-Hexenyl Octanoate
Parchem
(E)-2-hexen-1-yl octanoate
Penta International
TRANS-2-HEXENYL OCTANOATE
 
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: flavor and fragrance agents
Recommendation for (E)-2-hexen-1-yl octanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Structure Class: I
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: 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
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):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5365136
National Institute of Allergy and Infectious Diseases:Data
[(E)-hex-2-enyl] octanoate
Chemidplus:0085554729
 
References:
 [(E)-hex-2-enyl] octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:85554-72-9
Pubchem (cid):5365136
Pubchem (sid):135209600
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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):HMDB32321
FooDB:FDB009571
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
hexyl 2-furoate
FL/FR
fruity
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
apple crotonate
FR
butyl isovalerate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-4-octenoate
FR
ethyl 2-cyclohexyl propionate
FR
ethyl cyclohexane propionate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
hexenyl cyclopentanyl acetate
FR
hexyl (E)-tiglate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl 2-octenoate
FL/FR
methyl 3-nonenoate
FL/FR
methyl nonanoate
FL/FR
nerolidyl isobutyrate
FR
(Z)-3-
octen-1-yl propionate
FL/FR
pear valerate
FR
propyl 2,4-decadienoate
FL/FR
propyl acetate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isobutyrate
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
hexyl isobutyrate
FL/FR
melon nonenoate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
sorbyl isobutyrate
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
waxy
ethyl octanoate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
For Flavor
No flavor group found for these
ethyl (Z)-3-hexenoate
FL/FR
ethyl cyclohexane propionate
FL/FR
hexanal diethyl acetal
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
cis+trans-para-1(7)8-
menthadien-2-yl acetate
FL
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl 2-octenoate
FL/FR
iso
propyl isobutyrate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
sorbyl isobutyrate
FL/FR
estery
estery
propyl acetate
FL/FR
fruity
amyl hexanoate
FL/FR
butyl isovalerate
FL/FR
ethyl (E)-2-decenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl (E)-2-octenoate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl 2-furoate
FL/FR
hexyl isobutyrate
FL/FR
melon nonenoate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
2,4-
octadienal
FL
(E,E)-2,4-
octadienal
FL
melon
propyl 2,4-decadienoate
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
propyl heptanoate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 nectarine
Search PMC Picture
 
Synonyms:
 ctanoic acid, 2-hexenyl ester, (E)-
[(E)-hex-2-enyl] octanoate
trans-2-hexen-1-yl octanoate
trans-2-hexenyl N-octanoate
(E)-2-hexenyl octanoate
trans-2-hexenyl octanoate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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