| CAS Number: | 2315-09-5 |  3D/inchi
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| 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:
Physical Properties:
Organoleptic Properties:
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| Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
Safety Information:
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | flavor and fragrance agents |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
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| 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 |
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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| 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 |
References:
Other Information:
Potential Blenders and core components note
| |
| For Odor |
| aldehydic |
| | citrus carbaldehyde | FR |
| | lily pentanal | FR |
| 2- | methyl undecanal dimethyl acetal | FR |
| alliaceous |
| | dibutyl sulfide | FL/FR |
| balsamic |
| iso | amyl benzoate | FL/FR |
| | fir needle oil siberia | FL/FR |
| citrus |
| | bergamot oil | FL/FR |
| | dihydromyrcenol | FL/FR |
| | grapefruit oil c.p. california | FL/FR |
| | grapefruit pentanol | FR |
| creamy |
| 3- | heptyl dihydro-5-methyl-2(3H)-furanone | FL/FR |
| dairy |
| | methyl butyl phenyl acetate | FL/FR |
| ethereal |
| | butyl acetate | FL/FR |
| | cyclohexyl formate | FL/FR |
| iso | propyl acetate | FL/FR |
| fatty |
| | allyl octanoate | FL/FR |
| | methyl (E)-2-hexenoate | FL/FR |
| (E)-2- | octenal | FL/FR |
| floral |
| | benzyl acetate | FL/FR |
| | bois de rose oil brazil | FL/FR |
| | citronellyl acetate | FL/FR |
| | coriander seed oil | FL/FR |
| | cyclamen aldehyde | FL/FR |
| | cyclohexyl ethyl alcohol | FL/FR |
| | dimethyl benzyl carbinol | FL/FR |
| | floral pyranol | FR |
| | geranyl acetate | FL/FR |
| (Z)-3- | hexen-1-yl salicylate | FL/FR |
| | hyacinth ether | FR |
| | hydroxycitronellal | FL/FR |
| | jasmin cyclopentanol | FR |
| laevo- | linalool | FL/FR |
| | linalool | FL/FR |
| | linalool oxide | FL/FR |
| | linalyl butyrate | FL/FR |
| | methyl dihydrojasmonate | FL/FR |
| | mimosa absolute france | FL/FR |
| | neryl acetate | FL/FR |
| | ocean propanal | FL/FR |
| | orris pyridine 25% IPM | FR |
| | peony alcohol | FR |
| | petitgrain oil paraguay | FL/FR |
| | phenethyl acetate | FL/FR |
| | phenethyl hexanoate | FL/FR |
| | violet methyl carbonate | FR |
| fruity |
| | allyl amyl glycolate | FR |
| | allyl cyclohexyl acetate | FL/FR |
| | allyl heptanoate | FL/FR |
| | allyl isovalerate | FL/FR |
| | allyl salicylate | FR |
| | amyl acetate | FL/FR |
| iso | amyl acetate | FL/FR |
| iso | amyl butyrate | FL/FR |
| | amyl butyrate | FL/FR |
| | amyl heptanoate | FL/FR |
| iso | amyl hexanoate | FL/FR |
| | amyl isobutyrate | FL/FR |
| iso | amyl isobutyrate | FL/FR |
| iso | amyl isovalerate | FL/FR |
| iso | amyl propionate | FL/FR |
| | benzaldehyde | FL/FR |
| | benzyl propionate | FL/FR |
| iso | butyl 2-butenoate | FL/FR |
| iso | butyl acetate | FL/FR |
| | butyl isobutyrate | FL/FR |
| iso | butyl propionate | FL/FR |
| | cyclohexyl isovalerate | FL/FR |
| | cyclohexyl propionate | FL/FR |
| | ethyl 2-octenoate | FL/FR |
| 2- | ethyl butyl acetate | FL/FR |
| | ethyl heptanoate | FL/FR |
| | ethyl hexanoate | FL/FR |
| | furfuryl acetate | FL/FR |
| | grape butyrate | FL/FR |
| | green acetate | FR |
| (E)-2- | hexen-1-ol | FL/FR |
| (E)-3- | hexen-1-yl acetate | FL/FR |
| | hexyl acetate | FL/FR |
| | hexyl formate | FL/FR |
| | hexyl isovalerate | FL/FR |
| | methyl 4-methyl valerate | FL/FR |
| 2- | methyl butyl 2-methyl butyrate | FL/FR |
| 2- | methyl butyl acetate | FL/FR |
| | methyl butyrate | FL/FR |
| 2- | methyl-2-pentenal | FL/FR |
| 2- | pentanone | FL/FR |
| | pineapple pentenoate | FL/FR |
| | prenyl acetate | FL/FR |
| iso | propyl octanoate | FL/FR |
| iso | propyl propionate | FL/FR |
| green |
| | acetaldehyde ethyl phenethyl acetal | FL/FR |
| | bark carbaldehyde | FR |
| | butyl heptanoate | FL/FR |
| sec- | butyl-3-methyl but-2-ene thioate | FL/FR |
| | cognac heptanone | FL/FR |
| 3,7- | dimethyl-6-octenoic acid | FL/FR |
| | ethyl (E,Z)-2,4-decadienoate | FL/FR |
| | galbanum oil | FL/FR |
| (Z)-3- | hepten-1-ol | FL/FR |
| (Z)-3- | hepten-1-yl acetate | FL/FR |
| 3- | hepten-2-one | FL/FR |
| | heptyl formate | FL/FR |
| | heptyl heptanoate | FL/FR |
| | hexanal dihexyl acetal | FL/FR |
| (Z)-3- | hexen-1-ol | FL/FR |
| (Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
| (Z)-3- | hexen-1-yl acetate | FL/FR |
| (Z)-3- | hexen-1-yl benzoate | FL/FR |
| (E)-2- | hexen-1-yl butyrate | FL/FR |
| (Z)-3- | hexen-1-yl butyrate | FL/FR |
| (E)-2- | hexen-1-yl isovalerate | FL/FR |
| (Z)-3- | hexen-1-yl propionate | FL/FR |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| (Z)-3- | hexen-1-yl valerate | FL/FR |
| (E)-2- | hexen-1-yl valerate | FL/FR |
| (Z)-3- | hexenal | FL/FR |
| (E)-2- | hexenal | FL/FR |
| | hexyl 2-methyl butyrate | FL/FR |
| | hexyl octanoate | FL/FR |
| | hexyl phenyl acetate | FL/FR |
| | hexyl tiglate | FL/FR |
| 2,4- | ivy carbaldehyde | FL/FR |
| (Z)- | leaf acetal | FL/FR |
| | lilac acetaldehyde | FL/FR |
| | melon nonenoate | FL/FR |
| | narcissus flower absolute | FR |
| | neryl butyrate | FL/FR |
| (E,Z)-2,6- | nonadien-1-ol | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| (Z)-5- | octen-1-yl propionate | FL/FR |
| | phenyl acetaldehyde ethylene glycol acetal | FR |
| 3- | phenyl propionaldehyde | FL/FR |
| | propylene acetal | FL/FR |
| | styralyl acetate | FL/FR |
| 3,5,5- | trimethyl hexanol | FL/FR |
| | violet leaf absolute | FL/FR |
| herbal |
| iso | amyl heptanoate | FL/FR |
| | clary sage oil france | FL/FR |
| | linalyl acetate | FL/FR |
| mossy |
| | oakmoss absolute | FL/FR |
| powdery |
| para- | anisyl acetate | FL/FR |
| spicy |
| 3-(2- | furyl) acrolein | FL/FR |
| terpenic |
| alpha- | terpineol | FL/FR |
| vegetable |
| 1- | furfuryl pyrrole | FL/FR |
| waxy |
| | ethyl octanoate | FL/FR |
| woody |
| | woody acetate | FR |
| (Z)- | woody amylene | FR |
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| For Flavor |
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| No flavor group found for these |
| | amyl isobutyrate | FL/FR |
| sec- | butyl-3-methyl but-2-ene thioate | FL/FR |
| | diethyl maleate | FL |
| 2- | ethyl pyridine | FL |
| 3-(2- | furyl) acrolein | FL/FR |
| (Z)-3- | hepten-1-ol | FL/FR |
| (Z)-3- | hepten-1-yl acetate | FL/FR |
| 2- | heptenoic acid | FL |
| | hexanal dihexyl acetal | FL/FR |
| (Z)-3- | hexenoic acid | FL |
| | methyl (E)-2-hexenoate | FL/FR |
| 3-( | methyl thio) hexanal | FL |
| (E,E)-3,5- | octadien-2-one | FL |
| | propylene acetal | FL/FR |
| apple |
| (E,Z)-2,6- | nonadien-1-ol | FL/FR |
| balsamic |
| | fir needle oil siberia | FL/FR |
| citrus |
| | bergamot oil | FL/FR |
| | cognac heptanone | FL/FR |
| | grapefruit oil c.p. california | FL/FR |
| | linalool | FL/FR |
| laevo- | linalool | FL/FR |
| alpha- | terpineol | FL/FR |
| creamy |
| 3- | hepten-2-one | FL/FR |
| dairy |
| | methyl butyl phenyl acetate | FL/FR |
| estery |
| | furfuryl acetate | FL/FR |
| ethereal |
| | butyl acetate | FL/FR |
| iso | propyl acetate | FL/FR |
| fatty |
| | allyl octanoate | FL/FR |
| | heptyl formate | FL/FR |
| (Z)-3- | hexen-1-yl benzoate | FL/FR |
| (E)-2- | octenal | FL/FR |
| floral |
| | bois de rose oil brazil | FL/FR |
| | citronellyl acetate | FL/FR |
| 3,7- | dimethyl-6-octenoic acid | FL/FR |
| | linalyl acetate | FL/FR |
| | linalyl butyrate | FL/FR |
| | methyl dihydrojasmonate | FL/FR |
| | neryl acetate | FL/FR |
| | ocean propanal | FL/FR |
| fruity |
| | allyl cyclohexyl acetate | FL/FR |
| | allyl heptanoate | FL/FR |
| | allyl isovalerate | FL/FR |
| | amyl acetate | FL/FR |
| iso | amyl acetate | FL/FR |
| iso | amyl benzoate | FL/FR |
| | amyl butyrate | FL/FR |
| | amyl heptanoate | FL/FR |
| iso | amyl hexanoate | FL/FR |
| iso | amyl isobutyrate | FL/FR |
| iso | amyl propionate | FL/FR |
| para- | anisyl acetate | FL/FR |
| | benzaldehyde | FL/FR |
| | benzyl acetate | FL/FR |
| | benzyl propionate | FL/FR |
| iso | butyl acetate | FL/FR |
| | butyl heptanoate | FL/FR |
| | butyl isobutyrate | FL/FR |
| iso | butyl propionate | FL/FR |
| | cyclohexyl isovalerate | FL/FR |
| | cyclohexyl propionate | FL/FR |
| | ethyl 2-octenoate | FL/FR |
| 2- | ethyl butyl acetate | FL/FR |
| | ethyl heptanoate | FL/FR |
| | ethyl hexanoate | FL/FR |
| | furfuryl propionate | FL |
| 3- | heptyl dihydro-5-methyl-2(3H)-furanone | FL/FR |
| (E)-3- | hexen-1-yl acetate | FL/FR |
| | hexyl acetate | FL/FR |
| | hexyl phenyl acetate | FL/FR |
| | lilac acetaldehyde | FL/FR |
| | methyl 4-methyl valerate | FL/FR |
| 2- | methyl butyl 2-methyl butyrate | FL/FR |
| 2- | methyl butyl acetate | FL/FR |
| 2- | methyl-2-pentenal | FL/FR |
| 2- | pentanone | FL/FR |
| | pineapple pentenoate | FL/FR |
| | prenyl acetate | FL/FR |
| iso | propyl octanoate | FL/FR |
| iso | propyl propionate | FL/FR |
| | styralyl acetate | FL/FR |
| fusel |
| | methyl butyrate | FL/FR |
| green |
| | acetaldehyde ethyl phenethyl acetal | FL/FR |
| iso | amyl isovalerate | FL/FR |
| iso | butyl 2-butenoate | FL/FR |
| | cyclamen aldehyde | FL/FR |
| | cyclohexyl ethyl alcohol | FL/FR |
| | cyclohexyl formate | FL/FR |
| | dibutyl sulfide | FL/FR |
| | dihydromyrcenol | FL/FR |
| | ethyl (E,Z)-2,4-decadienoate | FL/FR |
| | galbanum oil | FL/FR |
| | geranyl acetate | FL/FR |
| | grape butyrate | FL/FR |
| | heptyl heptanoate | FL/FR |
| (E)-2- | hexen-1-ol | FL/FR |
| (Z)-3- | hexen-1-ol | FL/FR |
| (Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
| (Z)-3- | hexen-1-yl acetate | FL/FR |
| (Z)-3- | hexen-1-yl butyrate | FL/FR |
| (E)-2- | hexen-1-yl butyrate | FL/FR |
| (E)-2- | hexen-1-yl isovalerate | FL/FR |
| (Z)-3- | hexen-1-yl propionate | FL/FR |
| (Z)-3- | hexen-1-yl salicylate | FL/FR |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| (E)-2- | hexen-1-yl valerate | FL/FR |
| (Z)-3- | hexen-1-yl valerate | FL/FR |
| (Z)-3- | hexenal | FL/FR |
| (E)-2- | hexenal | FL/FR |
| | hexyl 2-methyl butyrate | FL/FR |
| | hexyl formate | FL/FR |
| | hexyl isovalerate | FL/FR |
| | hexyl octanoate | FL/FR |
| | hexyl tiglate | FL/FR |
| 2,4- | ivy carbaldehyde | FL/FR |
| (Z)- | leaf acetal | FL/FR |
| | linalool oxide | FL/FR |
| | melon nonenoate | FL/FR |
| | neryl butyrate | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| | oakmoss absolute | FL/FR |
| (Z)-5- | octen-1-yl propionate | FL/FR |
| 3- | phenyl propionaldehyde | FL/FR |
| 3,5,5- | trimethyl hexanol | FL/FR |
| | violet leaf absolute | FL/FR |
| herbal |
| iso | amyl heptanoate | FL/FR |
| | clary sage oil france | FL/FR |
| | coriander seed oil | FL/FR |
| | petitgrain oil paraguay | FL/FR |
| honey |
| | phenethyl acetate | FL/FR |
| medicinal |
| | dimethyl benzyl carbinol | FL/FR |
| vegetable |
| 1- | furfuryl pyrrole | FL/FR |
| waxy |
| iso | amyl butyrate | FL/FR |
| | ethyl octanoate | FL/FR |
| | hydroxycitronellal | FL/FR |
| | mimosa absolute france | FL/FR |
| | phenethyl hexanoate | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): noteSynonyms:
| | 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) |
Articles:
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