(E)-hexyl crotonate
trans-hexyl crotonate
 
Notes:
None found
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hexyl (E)-but-2-enoate (Click)
CAS Number: 1617-25-0Picture of molecule
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:
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Pubchem Patents: Search
Flavis Number: 09.578 (Old)
DG SANTE Food Flavourings: 09.578  hexyl (E)-but-2-enoate
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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
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Organoleptic Properties:
  
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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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
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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
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References:
 hexyl (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5366038
Pubchem (sid): 135036906
Pherobase: View
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
 citrus carbaldehydeFR
 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 caprylateFL/FR
balsamic
isoamyl benzoateFL/FR
 amyris wood oilFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 fir needle oil siberiaFL/FR
3-phenyl propyl alcoholFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 dihydromyrcenolFL/FR
 tetrahydromyrcenolFR
floral
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 citronellyl acetateFL/FR
 coriander seed oilFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 floral pyranolFR
 gardenia oxideFR
 geranyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 leerallFR
laevo-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 nerolidolFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 petitgrain oil paraguayFL/FR
 rose butanoateFL/FR
 tetrahydrolinaloolFL/FR
 violet methyl carbonateFR
fruity
 allyl amyl glycolateFR
isoamyl butyrateFL/FR
 benzyl propionateFL/FR
 diethyl malonateFL/FR
 ethyl heptanoateFL/FR
 green acetateFR
 hexyl acetateFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
 galbanum oilFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 styralyl acetateFL/FR
 violet leaf absoluteFL/FR
herbal
 clary sage oil franceFL/FR
 lavender absolute bulgariaFL/FR
marine
green algae absoluteFL/FR
melon
 melon heptenalFL/FR
mossy
 oakmoss absoluteFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
black pepper oilFL/FR
 pimenta acris leaf oilFL/FR
terpenic
alpha-terpineolFL/FR
woody
 spruce needle oil canadaFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
green algae absoluteFL/FR
para-cresyl caprylateFL/FR
2,4-ivy carbaldehydeFL/FR
laevo-linaloolFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
balsamic
 fir needle oil siberiaFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 linaloolFL/FR
 petitgrain oil paraguayFL/FR
alpha-terpineolFL/FR
cooling
isobutyl salicylateFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 methyl dihydrojasmonateFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 tetrahydrolinaloolFL/FR
fruity
isoamyl benzoateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 diethyl malonateFL/FR
 ethyl heptanoateFL/FR
 hexyl acetateFL/FR
 rose butanoateFL/FR
 styralyl acetateFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydromyrcenolFL/FR
 galbanum oilFL/FR
 geranyl acetateFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
 oakmoss absoluteFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 violet leaf absoluteFL/FR
herbal
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
honey
 phenyl acetaldehydeFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
black pepper oilFL/FR
3-phenyl propyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
waxy
isoamyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absolute franceFL/FR
woody
 amyris wood oilFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 carica candamarcensis
Search Trop  Picture
 passiflora mollissima
Search Trop  Picture
 passiflora species - up to 0.01 mg/kg
Search  Picture
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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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Articles:
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