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(E)-hexyl crotonate
trans-hexyl crotonate

Supplier Sponsors

Name:hexyl (E)-but-2-enoate
CAS Number: 1617-25-0Picture of molecule3D/inchi
FDA UNII:L8K16M475M
Nikkaji Web:J57.852E
Beilstein Number:2431113
XlogP3:3.20 (est)
Molecular Weight:170.25186000
Formula:C10 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Register CASrn refers to the (E)-isomer.
Category:flavoring 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
FLAVIS Number:09.578 (Old)
DG SANTE Food Flavourings:09.578 hexyl (E)-but-2-enoate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 213.00 to 215.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.146000 mm/Hg @ 25.00 °C. (est)
Flash Point: 192.00 °F. TCC ( 88.89 °C. )
logP (o/w): 3.973 (est)
Soluble in:
 alcohol
 water, 52.1 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl crotonate
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
octyl crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: flavoring agents
Recommendation for (E)-hexyl crotonate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.60 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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):

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1617-25-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5366038
National Institute of Allergy and Infectious Diseases:Data
hexyl (E)-but-2-enoate
Chemidplus:0001617250
 
References:
 hexyl (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5366038
Pubchem (sid):135036906
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
dodecanal (aldehyde C-12 lauric)
FL/FR
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
animal
para-
cresyl caprylate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyris wood oil
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
fir needle oil siberia
FL/FR
3-
phenyl propyl alcohol
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
dihydromyrcenol
FL/FR
tetrahydromyrcenol
FR
floral
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
iso
butyl salicylate
FL/FR
citronellyl acetate
FL/FR
coriander seed oil
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
floral pyranol
FR
gardenia oxide
FR
geranyl acetate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ho leaf oil
FR
leerall
FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
nerolidol
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
petitgrain oil paraguay
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
iso
amyl butyrate
FL/FR
benzyl propionate
FL/FR
diethyl malonate
FL/FR
ethyl heptanoate
FL/FR
green acetate
FR
hexyl acetate
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
galbanum oil
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
phenyl acetaldehyde
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
styralyl acetate
FL/FR
violet leaf absolute
FL/FR
herbal
clary sage oil france
FL/FR
lavender absolute bulgaria
FL/FR
marine
green
algae absolute
FL/FR
melon
melon heptenal
FL/FR
mossy
oakmoss absolute
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
black
pepper oil
FL/FR
pimenta acris leaf oil
FL/FR
terpenic
alpha-
terpineol
FL/FR
woody
spruce needle oil canada
FL/FR
woody acetate
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
green
algae absolute
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
animal
para-
cresyl caprylate
FL/FR
apple
(E,Z)-2,6-
nonadien-1-ol
FL/FR
balsamic
fir needle oil siberia
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
alpha-
terpineol
FL/FR
cooling
iso
butyl salicylate
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
methyl dihydrojasmonate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
tetrahydrolinalool
FL/FR
fruity
iso
amyl benzoate
FL/FR
para-
anisyl alcohol
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
diethyl malonate
FL/FR
ethyl heptanoate
FL/FR
hexyl acetate
FL/FR
rose butanoate
FL/FR
styralyl acetate
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydromyrcenol
FL/FR
galbanum oil
FL/FR
geranyl acetate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
methyl octine carbonate
FL/FR
nerolidol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
oakmoss absolute
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
violet leaf absolute
FL/FR
herbal
clary sage oil france
FL/FR
coriander seed oil
FL/FR
lavender absolute bulgaria
FL/FR
petitgrain oil paraguay
FL/FR
honey
phenyl acetaldehyde
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
black
pepper oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
pimenta acris leaf oil
FL/FR
waxy
iso
amyl butyrate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute france
FL/FR
woody
amyris wood oil
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 carica candamarcensis
Search Trop Picture
 passiflora mollissima
Search Trop Picture
 passiflora species - up to 0.01 mg/kg
Search PMC Picture
 
Synonyms:
(2E)-2-butenoic acid (E)-hexyl ester
2-butenoic acid, hexyl ester, (2E)-
2-butenoic acid, hexyl ester, (E)-
(E)-crotonic acid (E)-hexyl ester
trans-crotonic acid trans-hexyl ester
 crotonic acid, hexyl ester, (E)-
 hexyl (2E)-but-2-enoate
 hexyl (E)-but-2-enoate
(E)-hexyl 2-butenoate
trans-hexyl 2-butenoate
trans-hexyl crotonate
 hexyl trans-2-butenoate
 hexyl trans-but-2-enoate
 

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