3-hexenyl formate
3-hexenyl formate (cis and trans mixture)
 
Notes:
None found
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CAS Number: 2315-09-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 219-017-1
CoE Number: 9846
XlogP3-AA: 1.90 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn does not specify stereoisomers. According to JECFA: Min. assay value is "98 % (total cis and trans isomers)".
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1272  3-hexenyl formate (cis and trans mixture)
FLAVIS Number: 09.846 (Old)
DG SANTE Food Flavourings: 09.846  3-hexenyl formate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90700 to 0.91400 @  25.00 °C.
Pounds per Gallon - (est).: 7.547 to  7.605
Refractive Index: 1.42100 to 1.43100 @  20.00 °C.
Boiling Point: 155.00 to  156.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.567000 mm/Hg @ 25.00 °C. (est)
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 2.076 (est)
Soluble in:
 alcohol
 water, 1607 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl formate
amyl formate
isoamyl formate
para-anisyl formate
benzyl formate
bornyl formate
isobornyl formate
butyl formate
isobutyl formate
sec-butyl formate
carvyl formate
cedryl formate
cinnamyl formate
citronellyl formate
para-cresyl formate
cyclododecyl formate
cyclohexyl formate
2-decalinyl formate
decyl formate
dimethyl benzyl carbinyl formate
ethyl formate
eugenyl formate
isoeugenyl formate
furfuryl formate
S-furfuryl thioformate
geranyl formate
heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
hexyl formate
linalyl formate
menthadienyl formate
menthyl formate
laevo-menthyl formate
2-methyl butyl formate
methyl formate
myrtenyl formate
neryl formate
nonisyl formate
nonyl formate
nopyl formate
octyl formate
3-octyl formate
phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
prenyl formate
propyl formate
isopropyl formate
isopulegyl formate
rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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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: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 18.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/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):
Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 36502
National Institute of Allergy and Infectious Diseases: Data
 hex-3-enyl formate
Chemidplus: 0002315095
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References:
 hex-3-enyl formate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2315-09-5
Pubchem (cid): 36502
Pubchem (sid): 135060147
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.13.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 citrus carbaldehydeFR
 lily pentanalFR
2-methyl undecanal dimethyl acetalFR
alliaceous
 dibutyl sulfideFL/FR
balsamic
isoamyl benzoateFL/FR
 fir needle oil siberiaFL/FR
citrus
 bergamot oilFL/FR
 dihydromyrcenolFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit pentanolFR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
ethereal
 butyl acetateFL/FR
 cyclohexyl formateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
(E)-2-octenalFL/FR
floral
 benzyl acetateFL/FR
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dimethyl benzyl carbinolFL/FR
 floral pyranolFR
 geranyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 jasmin cyclopentanolFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl butyrateFL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 peony alcoholFR
 petitgrain oil paraguayFL/FR
 phenethyl acetateFL/FR
 phenethyl hexanoateFL/FR
 violet methyl carbonateFR
fruity
 allyl amyl glycolateFR
 allyl cyclohexyl acetateFL/FR
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
 allyl salicylateFR
isoamyl acetateFL/FR
 amyl acetateFL/FR
isoamyl butyrateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 amyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 benzaldehydeFL/FR
 benzyl propionateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl acetateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 ethyl 2-octenoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 furfuryl acetateFL/FR
 grape butyrateFL/FR
 green acetateFR
(E)-2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
 hexyl acetateFL/FR
 hexyl formateFL/FR
 hexyl isovalerateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl acetateFL/FR
 methyl butyrateFL/FR
2-methyl-2-pentenalFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
 bark carbaldehydeFR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cognac heptanoneFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum oilFL/FR
(Z)-3-hepten-1-olFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
3-hepten-2-oneFL/FR
 heptyl formateFL/FR
 heptyl heptanoateFL/FR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenalFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 lilac acetaldehydeFL/FR
 melon nonenoateFL/FR
 narcissus flower absoluteFR
 neryl butyrateFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
3-phenyl propionaldehydeFL/FR
 propylene acetalFL/FR
 styralyl acetateFL/FR
3,5,5-trimethyl hexanolFL/FR
 violet leaf absoluteFL/FR
herbal
isoamyl heptanoateFL/FR
 clary sage oil franceFL/FR
 linalyl acetateFL/FR
mossy
 oakmoss absoluteFL/FR
powdery
para-anisyl acetateFL/FR
terpenic
alpha-terpineolFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
 ethyl octanoateFL/FR
 methyl butyl phenyl acetateFL/FR
woody
 woody acetateFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 amyl isobutyrateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 diethyl maleateFL
2-ethyl pyridineFL
3-(2-furyl) acroleinFL
(Z)-3-hepten-1-olFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
2-heptenoic acidFL
 hexanal dihexyl acetalFL/FR
(Z)-3-hexenoic acidFL
 methyl (E)-2-hexenoateFL/FR
3-(methyl thio) hexanalFL
(E,E)-3,5-octadien-2-oneFL
 propylene acetalFL/FR
apple
(E,Z)-2,6-nonadien-1-olFL/FR
balsamic
 fir needle oil siberiaFL/FR
citrus
 bergamot oilFL/FR
 cognac heptanoneFL/FR
 grapefruit oil c.p. californiaFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
alpha-terpineolFL/FR
creamy
3-hepten-2-oneFL/FR
estery
 furfuryl acetateFL/FR
ethereal
 butyl acetateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(E)-2-octenalFL/FR
floral
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 linalyl acetateFL/FR
 linalyl butyrateFL/FR
 methyl dihydrojasmonateFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
 amyl acetateFL/FR
isoamyl benzoateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl propionateFL/FR
para-anisyl acetateFL/FR
 benzaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl propionateFL/FR
isobutyl acetateFL/FR
 butyl heptanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 ethyl 2-octenoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 furfuryl propionateFL
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
(E)-3-hexen-1-yl acetateFL/FR
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 lilac acetaldehydeFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl acetateFL/FR
2-methyl-2-pentenalFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
 styralyl acetateFL/FR
fusel
 methyl butyrateFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isoamyl isovalerateFL/FR
isobutyl 2-butenoateFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl formateFL/FR
 dibutyl sulfideFL/FR
 dihydromyrcenolFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum oilFL/FR
 geranyl acetateFL/FR
 grape butyrateFL/FR
 heptyl heptanoateFL/FR
(Z)-3-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon nonenoateFL/FR
 neryl butyrateFL/FR
(E,Z)-2,6-nonadienalFL/FR
 oakmoss absoluteFL/FR
(Z)-5-octen-1-yl propionateFL/FR
3-phenyl propionaldehydeFL/FR
3,5,5-trimethyl hexanolFL/FR
 violet leaf absoluteFL/FR
herbal
isoamyl heptanoateFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 petitgrain oil paraguayFL/FR
honey
 phenethyl acetateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
isoamyl butyrateFL/FR
 ethyl octanoateFL/FR
 hydroxycitronellalFL/FR
 mimosa absolute franceFL/FR
 phenethyl hexanoateFL/FR
 
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Potential Uses:
 absintheFL
 agrumen aldehydeFR
 aldehydicFR
 alpine bouquet 
 appleFR
 apple crabapple 
 apple green appleFR
 apple red appleFR
 asafoetidaFL/FR
 ash mountain ash 
 autumnFR
 bananaFR
 bean 
 boroniaFR
 bouquetFR
 boxwood 
 boxwood blossom 
 celeryFR
 chamomileFR
 champacaFR
 cherry maraschino cherryFL
 cherry wild cherryFL
 chervilFL
 cilantroFL/FR
 citronellaFR
 clematisFR
 cognacFR
 country meadowFR
 crabapple blossomFR
 cucumberFR
 currant bud absolute replacerFL/FR
 cyclamenFR
 daffodilFR
 eglantineFR
 elder berryFR
 elder flowerFR
 evergreenFR
 fernFR
 figFR
 foliage 
 galbanumFR
 gardeniaFR
 genetFR
 greenFR
 green grassFR
 green leafFR
 guavaFR
 herbalFR
 honeydewFR
 hugonia 
 hyacinthFR
 ivyFR
 jackfruitFL
 jasminFR
 jonquilFR
 kiwiFR
 leaf 
 linden flowerFR
 marjoramFL/FR
 melissa oil replacerFR
 melon watermelon muskmelon cantaloupe 
 mimosaFR
 mossFR
 nutFL
 ocean sea 
 oreganoFR
 palmarosa oil replacerFR
 pansyFR
 parsley leafFL/FR
 passion fruitFR
 pearFR
 pear prickly pearFL
 pennyroyalFL/FR
 peppermintFR
 petuniaFR
 pineappleFR
 pomegranateFR
 privet 
 privet blossom 
 raspberryFR
 resedaFR
 rhubarbFR
 roseFR
 stephanotisFR
 strawberryFR
 sweet peaFR
 tangerineFR
 teaFL
 tea green teaFR
 tulipFR
 wasabiFL
 watercress nasturtium 
 yerba mateFL/FR
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Occurrence (nature, food, other): note
 coriander leaf
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Synonyms:
 hex-3-en-1-yl formate
 hex-3-enyl formate
3-hexen-1-ol formate
3-hexen-1-ol, formate
3-hexen-1-yl formate
3-hexenyl formate (cis and trans mixture)
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Synonyms   Articles   Notes   Search   Top
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