[(Z)-hex-3-enyl] 3-methylbutanoate (Click)
IUPAC Name: [(Z)-hex-3-enyl] 3-methylbutanoate
Std.InChI: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChI: InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
Std.InChIKey: AIQLNKITFBJPFO-WAYWQWQTSA-N
InChIKey: AIQLNKITFBJPFO-WAYWQWQTBH
SMILES: O=C(OCC\C=C/CC)CC(C)C
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CAS Number: | 35154-45-1 |
% from: | 98.00% to 99.90% |
ECHA EC Number: | 252-404-3 |
Beilstein Number: | 2433447 |
MDL: | MFCD00036533 |
FEMA Number: | 3498 |
XlogP3-AA: | 3.20 (est) |
Molecular Weight: | 184.27880000 |
Formula: | C11 H20 O2 |
NMR Predictor: | Predict |
Also(can) Contains: | (E)-3-hexen-1-yl isovalerate |
Category: | flavor and fragrance agents |
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US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
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FEMA Number: | 3498 cis-3-hexenyl isovalerate |
Physical Properties:
Appearance: | colorless clear liquid (est) |
Assay: | 98.00 to 100.00 % sum of isomers
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Food Chemicals Codex Listed: | Yes |
Specific Gravity: | 0.87400 to 0.87600 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.273 to 7.289
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Refractive Index: | 1.42900 to 1.43500 @ 20.00 °C.
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Boiling Point: | 98.00 °C. @ 15.00 mm Hg
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Boiling Point: | 199.00 °C. @ 760.00 mm Hg
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Acid Value: | 2.00 max. KOH/g
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Vapor Pressure: | 0.061000 mm/Hg @ 25.00 °C. (est) |
Vapor Density: | 6.3 ( Air = 1 ) |
Flash Point: | 140.00 °F. TCC ( 60.00 °C. )
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logP (o/w): | 3.772 (est) |
Organoleptic Properties:
Odor Type: | green |
Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | fresh green apple fruity tropical pineapple Luebke, William tgsc, (1986) |
Odor sample from: | SCM Glidco Organics |
Odor Description:
| Green, fruity, floral and dirty Mosciano, Gerard P&F 14, No. 6, 47, (1989) |
Taste Description: at 10.00 ppm. | Musty, green, fruity Mosciano, Gerard P&F 14, No. 6, 47, (1989) |
Substantivity: | 4 Hour(s) |
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Cosmetic Information:
Suppliers:
A.C.S. International |
cis-3-Hexenyl Isovalerate
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Advanced Biotech |
cis-3-HEXENYL ISOVALERATE NATURAL
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Alfrebro |
cis-3-HEXENYL ISOVALERATE NATURAL
Odor: Sweet, Apple |
Apiscent Labs |
C3 HEXENYL ISOVALERATE
Odor: Sweet green apple odor with fruit effect |
Apple Flavor & Fragrance |
cis-3-Hexenyl isovalerate
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Augustus Oils |
cis 3 Hexenyl Iso Valerate
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Aurochemicals |
cis-3-HEXENYL ISOVALERATE, Natural
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Bedoukian Research |
cis-3-HEXENYL ISOVALERATE FCC, NO ANTIOXIDANT
≥99.0% (sum of isomers), Special Order Odor: Fresh green apple with notes reminiscent of fresh blueberries Use: Used in perfumes for its sweet, fruity note. Also imparts freshness to mint flavors. Flavor: fruity Can be used in blueberry, pear, plum, apple, melon, guava, banana and pineapple flavors. |
Bedoukian Research |
cis-3-HEXENYL ISOVALERATE
≥98.0% (cis), FCC, Kosher Odor: Fresh green apple with notes reminiscent of fresh blueberries Use: Used in perfumes for its sweet, fruity note. Also imparts freshness to mint flavors. Flavor: fruity Can be used in blueberry, pear, plum, apple, melon, guava, banana and pineapple flavors. |
Berjé |
cis-3-Hexenyl iso Valerate
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Citrus and Allied Essences |
cis-3-Hexenyl Isovalerate
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Market Report |
Ernesto Ventós |
CIS-3-HEXENYL ISOVALERATE
Odor: POWERFUL, SWEET, GREEN ODOR OF APPLE |
Fleurchem |
cis-3-hexenyl isovalerate natural
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Frutarom |
cis-3-HEXENYL-3-METHYLBUTANOATE
≥99.00% (sum of isomers), NI, Kosher Odor: Apple, Floral, Fruity, Green Use: Suggested Uses: Apple, Banana, Hard Fruits, Pear, Pineapple, Soft Fruits, Strawberry, Tea, Tropical Fruits |
Grau Aromatics |
HEXENYL-cis-3-iso-VALERATE FCC
NI, Kosher |
Indukern F&F |
CIS-3-HEXENYL ISOVALERATE
Odor: GREEN, FRUITY, APPLE |
Inoue Perfumery |
CIS-3-HEXENYL ISOVALERATE
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Lluch Essence |
cis-3-HEXENYL ISOVALERATE
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Moellhausen |
cis 3-HEXYL ISOVALERIANATE
Nature-identical Odor: green, fruity, musty, apple note |
Natural Advantage |
cis-3-Hexenyl Isovalerate
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Penta International |
cis-3-HEXENYL ISOVALERATE, Kosher
| Penta International |
cis-3-HEXENYL ISOVALERATE, NATURAL, Kosher
| Reincke & Fichtner |
cis-3-Hexenyl Isovalerate
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Riverside Aromatics |
cis -3-Hexenyl Isovalerate, Natural
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Robertet |
HEXENYL CIS-3 ISOVALERATE (3-METHYLBUTYRATE)
Pure & Nat (EU) |
Crops calendar |
SAFC Global |
cis-3-Hexenyl 3-methylbutanoate
≥97%, FCC Odor: apple; green |
SRS Aromatics |
HEXENYL CIS 3 ISO VALERATE
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Taytonn |
Cis-3-Hexenyl-3-methylbutanoate
Odor: Floral, Fruity, Green |
The Lermond Company |
cis-3-Hexenyl Iso Valerate
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Treatt |
cis-3-Hexenyl Isovalerate
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Vigon International |
Hexenyl Cis-3 Isovalerate FCC
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Vigon International |
Hexenyl cis-3 Isovalerate Natural
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ZEON Chemicals |
cis-3-Hexenyl i-valerate
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Safety Information:
European information : |
Most important hazard(s): | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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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: | |
oral-rat LD50 > 4900 mg/kg National Technical Information Service. Vol. AD-A053-884
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Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg National Technical Information Service. Vol. AD-A053-884
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | flavor and fragrance agents |
Maximised Survey-derived Daily Intakes (MSDI-EU): | 8.00 (μg/capita/day) |
Recommendation for (Z)-3-hexen-1-yl isovalerate usage levels up to: | | 4.0000 % in the fragrance concentrate.
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Recommendation for (Z)-3-hexen-1-yl isovalerate flavor usage levels up to: | | 10.0000 ppm in the finished product.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
| acetaldehyde benzyl 2-methoxyethyl acetal | FL/FR |
| acetaldehyde dihexyl acetal | FL/FR |
| acetaldehyde ethyl phenethyl acetal | FL/FR |
| acetaldehyde methyl hexyl acetal | FR |
| allyl amyl glycolate | FR |
| allyl butyrate | FL/FR |
| allyl hexanoate | FL/FR |
| allyl tiglate | FL |
| amyl 2-methyl butyrate | FL/FR |
iso | amyl acetate | FL/FR |
iso | amyl benzoate | FL/FR |
iso | amyl butyrate | FL/FR |
alpha- | amyl cinnamaldehyde diethyl acetal | FR |
| amyl hexanoate | FL/FR |
| amyl isobutyrate | FL/FR |
| amyl isovalerate | FL/FR |
iso | amyl isovalerate | FL/FR |
iso | amyl octanoate | FL/FR |
iso | amyl valerate | FL/FR |
| apple ketal | FL/FR |
| benzaldehyde | FL/FR |
| benzyl acetate | FL/FR |
| benzyl alcohol | FL/FR |
| benzyl cinnamate | FL/FR |
| benzyl isovalerate | FL/FR |
| benzyl propionate | FL/FR |
| bergamot oil | FL/FR |
| berry pentadienoate | FL/FR |
blood | orange oil italy | FL/FR |
| bois de rose oil brazil | FL/FR |
| boronia absolute | FL/FR |
| buchu mercaptan | FL/FR |
| butyl 2-methyl butyrate | FL/FR |
| butyl heptanoate | FL/FR |
| butyl isobutyrate | FL/FR |
| butyl isovalerate | FL/FR |
iso | butyl isovalerate | FL/FR |
iso | butyl propionate | FL/FR |
| cherry pentenoate | FL/FR |
| citral | FL/FR |
| citronellyl acetate | FL/FR |
| citronellyl propionate | FL/FR |
| citrus carbaldehyde | FR |
| clary sage oil france | FL/FR |
| cognac heptanone | FL/FR |
| coriander seed oil | FL/FR |
para- | cresyl isobutyrate | FL/FR |
| cyclamen aldehyde | FL/FR |
beta- | cyclocitral | FL/FR |
| cyclohexyl butyrate | FL/FR |
| cyclohexyl isovalerate | FL/FR |
2- | cyclopentyl cyclopentanone | FL/FR |
alpha- | damascone | FL/FR |
gamma- | damascone | FR |
alpha- | decalactone | FL/FR |
3- | decen-2-one | FL/FR |
9- | decenoic acid | FL/FR |
| diethyl 1-malate | FL |
| diethyl malonate | FL/FR |
| dihydrojasmone | FL/FR |
| dihydromyrcenol | FL/FR |
| dimethyl succinate | FL/FR |
6,8- | dimethyl-2-nonanol | FR |
(E,E)-2,4- | dodecadien-1-ol | FR |
| ethyl (E,Z)-2,4-decadienoate | FL/FR |
| ethyl (E)-2-hexenoate | FL/FR |
| ethyl (E)-2-octenoate | FL |
| ethyl (E)-4-decenoate | FL/FR |
| ethyl 2-cyclohexyl propionate | FR |
| ethyl 2-octenoate | FL/FR |
| ethyl 3-acetoxyhexanoate | FL/FR |
| ethyl 3,5,5-trimethyl hexanoate | FR |
| ethyl acetoacetate | FL/FR |
| ethyl butyrate | FL/FR |
| ethyl decanoate | FL/FR |
| ethyl heptanoate | FL/FR |
| ethyl isovalerate | FL/FR |
| ethyl methyl-para-tolyl glycidate | FL/FR |
| ethyl valerate | FL/FR |
3- | methyl-1-pentanol | FL/FR |
| fir carboxylate | FR |
| floral pyranol | FR |
| fruity ketal | FL/FR |
| furfuryl propionate | FL |
| geranyl 2-methyl butyrate | FL/FR |
| geranyl acetate | FL/FR |
(E)- | geranyl acetone | FL/FR |
| geranyl isovalerate | FL/FR |
| grapefruit pentanol | FR |
| green acetate | FR |
| green dioxolane | FR |
(E,E)-2,4- | heptadien-1-ol | FL |
| heptanal cyclic ethylene acetal | FR |
2- | heptanol | FL/FR |
| heptyl 2-methyl butyrate | FL |
| heptyl isobutyrate | FL/FR |
| hexanal propylene glycol acetal | FL/FR |
2- | hexenal | FL |
(E)-2- | hexenal diethyl acetal | FL |
(Z)-3- | hexenal diethyl acetal | FL/FR |
2- | hexenal diethyl acetal | FL |
(E)-2- | hexenal dimethyl acetal | FL |
(Z)-3- | hexenal dimethyl acetal | |
(Z)-3- | hexen-1-ol | FL/FR |
2- | hexen-1-ol | FL/FR |
(Z)-3- | hexen-1-yl (E)-2-hexenoate | FL/FR |
(Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
(Z)-3- | hexen-1-yl 2-methyl-2-pentenoate | FR |
(E)-2- | hexen-1-yl acetate | FL/FR |
(E)-3- | hexen-1-yl acetate | FL/FR |
(Z)-3- | hexen-1-yl acetate | FL/FR |
2- | hexenyl acetate | FL/FR |
(Z)-3- | hexen-1-yl butyrate | FL/FR |
(E)-2- | hexen-1-yl formate | FL/FR |
(E)-2- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
(E)-2- | hexen-1-yl propionate | FL/FR |
(Z)-3- | hexen-1-yl propionate | FL/FR |
(Z)-3- | hexen-1-yl salicylate | FL/FR |
(E)-2- | hexen-1-yl valerate | FL/FR |
(Z)-3- | hexen-1-yl valerate | FL/FR |
1- | hexen-3-yl acetate | FL |
| hexyl (E)-2-hexenoate | FL |
| hexyl (E)-tiglate | FL/FR |
| hexyl 2-methyl butyrate | FL/FR |
| hexyl acetate | FL/FR |
| hexyl butyrate | FL/FR |
| hexyl formate | FL/FR |
| hexyl isobutyrate | FL/FR |
| hexyl isovalerate | FL/FR |
| hexyl octanoate | FL/FR |
| hexyl pivalate | FR |
| hexyl propionate | FL/FR |
| hyacinth ether | FR |
| hydroxycitronellal | FL/FR |
2,4- | ivy carbaldehyde | FL/FR |
(Z)- | leaf acetal | FL/FR |
| leerall | FR |
| lily propanol | FR |
| linalool | FL/FR |
laevo- | linalool | FL/FR |
| linalool oxide | FL/FR |
| linalyl acetate | FL/FR |
| linalyl hexanoate | FL/FR |
| marine formate | FR |
| melon heptenal | FL/FR |
| melon nonenoate | FL/FR |
| manzanate | FL/FR |
| methyl (E)-2-hexenoate | FL/FR |
| methyl (E)-3-nonenoate | FL |
| methyl 2-hexenoate | FL/FR |
| methyl 2-methyl valerate | FL/FR |
| methyl 2-undecynoate | FL |
| methyl 3-nonenoate | FL/FR |
| methyl 4-pentenoate | FL |
| methyl butyrate | FL/FR |
| methyl citronellate | FL/FR |
| methyl dihydrojasmonate | FL/FR |
(E)- | methyl geranate | FL/FR |
| methyl heptanoate | FL/FR |
| methyl heptenone | FL/FR |
| methyl isovalerate | FL/FR |
| methyl R-3-acetoxyhexanoate | |
2- | methyl valeraldehyde | FL/FR |
| methyl valerate | FL/FR |
3- | methyl valeric acid | FL |
(E)-2- | methyl-2-octenal | FL |
2- | methyl-2-octen-1-al | FL |
3- | methyl-3-pentanol | FL |
| mimosa absolute france | FL/FR |
| muguet carboxaldehyde | FR |
| nerolidyl isobutyrate | FR |
| neryl acetate | FL/FR |
(E,Z)-2,6- | nonadien-1-ol | FL/FR |
| nonanal (aldehyde C-9) | FL/FR |
(Z)-6- | nonenal | FL/FR |
| nonyl isovalerate | FL/FR |
| ocean propanal | FL/FR |
(E,E)-3,5- | octadien-2-one | FL |
| octanal (aldehyde C-8) | FL/FR |
(Z)-5- | octen-1-ol | FL/FR |
| octen-1-yl cyclopentanone | FL/FR |
| octyl 2-methyl butyrate | FL/FR |
sweet | orange peel oil c.p. brazil | FL/FR |
| papaya isobutyrate | FL/FR |
(E)-2- | pentenal | FL/FR |
2- | pentyl furan | FL/FR |
| petitgrain oil paraguay | FL/FR |
| phenethyl acetate | FL/FR |
| phenoxyethyl isobutyrate | FL/FR |
4- | phenyl-2-butyl acetate | FL/FR |
| pineapple pentenoate | FL/FR |
| prenol | FL/FR |
| prenyl hexanoate | FL/FR |
iso | propyl 2-methyl butyrate | FL/FR |
| propyl isovalerate | FL/FR |
iso | propyl isovalerate | FL/FR |
alpha-iso | propyl phenyl acetaldehyde | FL/FR |
| propylene acetal | FL/FR |
| raspberry ketone | FL/FR |
| rhubarb undecane | FR |
| rose butanoate | FL/FR |
| santall | FR |
| sorbyl isobutyrate | FL/FR |
| strawberry furanone | FL/FR |
| strawberry glycidate 1 (aldehyde C-16 (so-called)) | FL/FR |
| styralyl acetate | FL/FR |
alpha- | terpineol | FL/FR |
| tetrahydrofurfuryl butyrate | FL/FR |
| tetrahydrolinalool | FL/FR |
| thiogeraniol | FL/FR |
(E)- | tiglaldehyde | FL/FR |
| verdoxan | FR |
| tricyclodecyl acetate | FR |
| tropical indene | FR |
| tropical thiazole | FL/FR |
gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
| vanillyl acetate | FL/FR |
| violet dienyne | FR |
| violet leaf absolute | FL/FR |
| violet methyl carbonate | FR |
| watermelon ketone | FR |
| woody acetate | FR |
(Z)- | woody amylene | FR |
Potential Uses:
Natural Occurrence in: note
Synonyms:
| butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester | | butanoic acid, 3-methyl-, (3Z)-3-hexenyl ester | | butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)- | | butyric acid, 3-methyl-, (Z)-hex-3-en-1-yl ester | (3Z)- | hex-3-en-1-yl 3-methylbutanoate | (Z)- | hex-3-enyl 3-methyl butanoate | (Z)- | hex-3-enyl 3-methylbutanoate | (Z)- | hex-3-enyl isovalerate | [(Z)- | hex-3-enyl] 3-methylbutanoate | (Z)-3- | hexen-1-yl 3-methyl butanoate | cis-3- | hexen-1-yl 3-methyl butanoate | (Z)-3- | hexen-1-yl isopentanoate | cis-3- | hexen-1-yl isopentanoate | (Z)-3- | hexen-1-yl isovalerate | cis-3- | hexen-1-yl isovalerate | cis-3- | hexenyl 3-methylbutanoate | (Z)-3- | hexenyl 3-methylbutyrate | | hexenyl cis-3 isovalerate | | hexenyl cis-3 isovalerate (3-methylbutyrate) | cis-3- | hexenyl i-valerate | cis-3- | hexenyl iso valerate | cis-3- | hexenyl isopentanoate | (Z)-3- | hexenyl isovalerate | C3 | hexenyl isovalerate | cis-3- | hexenyl isovalerate | cis-3- | hexenyl isovalerate natural | cis-3- | hexenyl isovaleratefcc, no antioxidant | cis-3- | hexenyl-3-methylbutanoate | | hexenyl-cis-3-iso-valerate FCC | cis 3- | hexyl isovalerianate | 3- | methyl butanoic acid (3Z)-3-hexen-1-yl ester | (Z)-iso | valeric acid 3-hexen-1-yl ester | iso | valeric acid cis-3-hexenyl ester | iso | valeric acid, 3-hexenyl ester, (Z)- |
Articles:
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