3-Hexenyl isovalerate, (3Z)-
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Identifiers
CAS number
35154-45-1Molecular formula
C11H20O2SMILES
CC/C=C\CCOC(=O)CC(C)C
Safety labels
Flammable -
Odor profile
fruity 93.51% green 92.16% apple 78.37% tropical 68.13% sweet 58.88% pear 57.34% fresh 55.7% banana 54.5% pineapple 53.67% waxy 49.96% Scent© AI
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Properties
XLogP3-AA
3.2 Well soluble in DEP, BB, IAAMolecular weight
184.27 g/molVapor pressure est.
- 0.0957 hPa @ 20°C
- 0.1494 hPa @ 25°C
Evaporation rate
ModerateBoiling point
- 98.00 °C. @ 15.00 mm Hg
Solubility expt.
- soluble in alcohool, most fixed oils; insolouble- water
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Synonyms
- cis-3-Hexenyl isovalerate
- 35154-45-1
- (Z)-3-Hexenyl isovalerate
- [(Z)-hex-3-enyl] 3-methylbutanoate
- (Z)-3-Hexen-1-yl isovalerate
- cis-3-Hexenyl isopentanoate
- (Z)-Hex-3-enyl isovalerate
- (Z)-3-Hexenyl 3-methylbutyrate
- (Z)-Hex-3-enyl 3-methylbutanoate
- 3-Hexenyl isopentanoate
- Hex-3-enyl isovalerate
- cis-3-Hexenyl 3-methylbutanoate
- cis-Hex-3-enyl 3-methylbutanoate
- Isovaleric acid, 3-hexenyl ester
- 3-Hexenyl 3-methylbutanoate
- EINECS 252-404-3
- AI3-35966
- FEMA No. 3498
- 3-Hexenyl isovalerate, (3Z)-
- 3-Hexen-1-yl 3-methylbutanoate
- (Z)-3-hexenyl 3-methylbutanoate
- Butanoic acid, 3-methyl-, (3Z)-3-hexenyl ester
- Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-
- Isovaleric acid cis-3-hexenyl ester
- 3-Hexenyl 3-methylbutanoate, (3Z)-
- BRN 2433447
- Butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester
- L9KN8775G8
- EINECS 233-104-1
- ISOVALERIC ACID, 3-HEXENYL ESTER, (Z)-
- 3-Hexenyl isovalerate
- (Z)-3-Hexenyl isopentanoate
- (Z)-Hex-3-en-1-yl 3-methylbutanoate
- (3Z)-3-Hexenyl 3-methylbutanoate
- 3-HEXENYL ISOVALERATE, CIS-
- CIS-3-HEXENYL-3-METHYLBUTYRATE
- CIS-3-HEXENYL ISOVALERATE [FHFI]
- (Z)-3-HEXENYL ISOVALERATE [FCC]
- WE(6:1(3Z)/4:0(3Me))
- Butanoic acid, 3-methyl-, 3-hexen-1-yl ester
- ((Z)-hex-3-enyl) 3-methylbutanoate
- FEMA 3498
- UNII-L9KN8775G8
- [(E)-hex-3-enyl] 3-methylbutanoate
- MFCD00036533
- 3Z-Hexenyl Isovalerate
- cis-3-Hexenyl iso-valerate
- (3Z)-3-hexenyl isovalerate
- SCHEMBL573191
- DTXSID2052029
- AIQLNKITFBJPFO-WAYWQWQTSA-
- CHEBI:172060
- |cis|-3-Hexenyl 3-methylbutanoate
- 3-Hexenyl ester(Z)-Isovaleric acid
- LMFA07010592
- (Z)-Hex-3-en-1-yl3-methylbutanoate
- Isovaleric acid cis-3-hexen-1-yl ester
- 3-Methyl-3-hexenyl ester(Z)-Butanoic acid
- I0307
- NS00012583
- D91124
- (3Z)-HEX-3-EN-1-YL 3-METHYLBUTANOATE
- cis-3-Hexenyl 3-methylbutanoate, >=97%, FCC, FG
- Q27282877
- 252-404-3
- 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-
Maximum acceptable concentrations in the finished product (%) | |||
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Category 1
Products applied to the lips
|
0.077 % |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
0.88 % |
Category 2
Products applied to the axillae
|
0.023 % |
Category 7B
Leave-on products applied to the hair with some hand contact
|
0.88 % |
Category 3
Products applied to the face/body using fingertips
|
0.46 % |
Category 8
Products with significant anogenital exposure
|
0.037 % |
Category 4
Products related to fine fragrance
|
0.43 % |
Category 9
Products with body and hand exposure, primarily rinse off
|
0.84 % |
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
0.11 % |
Category 10A
Household care products with mostly hand contact
|
1.8 % |
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
0.11 % |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
3 % |
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
0.11 % |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
0.037 % |
Category 5D
Baby Creams, baby Oils and baby talc
|
0.037 % |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
0.037 % |
Category 6
Products with oral and lip exposure
|
0.25 % |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |
Name | CAS | Botanical | Proportion |
---|---|---|---|
Mentha x villosa (Greece) 1 | Mentha x villosa Hudson, fam. Lamiaceae (Labiatae) | 0.05% | |
Mentha x villosa (Greece) 2 | Mentha x villosa Hudson, fam. Lamiaceae (Labiatae) | 0.2% | |
Mentha x villoso-nervata (Greece) 1 | Mentha x villoso-nervata Opiz (M.longifolia L. x M.spicata L.) (Chemot.I) | 0.05% | |
Daylily, Headspace Living Flower 1 | Hemerocallis minor hybrid, fam. Liliaceae | 0.08% |