Cis-3-hexenyl isovalerate natural (CAS 35154-45-1) — formula C11H20O2, molecular weight 184.27; category organic chemicals.
| CAS Number | 35154-45-1 |
|---|---|
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.27 |
| Boiling Point | 98.00 °C. @ 15.00 mm Hg |
| LogP | 3.2 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, IFRA Fragrance Standards: cis-3-Hexenyl isovalerate, cis-3-Hexenyl isovalerate, (Z)-Hex-3-enyl isovalerate, Hex-3-en-1-yl 3-methylbutanoate, Isovaleric acid, 3-hexenyl ester, (z)-, (Z)-3-Hexen-1-yl isovalerate, IFRA_STD_245.pdf, 51, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.077 [Products applied to the lips], 0.023 [Products applied to the axillae], 0.46 [Products applied to the face, body using fingertips], 0.43 [Products related to fine fragrances], 0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.11 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.037 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.25 [Products with oral and lip exposure], 0.88 [Rinse-off products applied to the hair with some hand contact], 0.88 [Leave-on products applied to the hair with some hand contact], 0.037 [Products with significant anogenital exposure (tampon)], 0.84 [Products with body and hand exposure, primarily rinse off], 1.8 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.0 [Household care products with mostly hand contact (household aerosol, 0.037 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.037 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], General Manufacturing Information: Butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, IFRA Fragrance Standards: cis-3-Hexenyl isovalerate, cis-3-Hexenyl isovalerate, (Z)-Hex-3-enyl isovalerate, Hex-3-en-1-yl 3-methylbutanoate, Isovaleric acid, 3-hexenyl ester, (z)-, (Z)-3-Hexen-1-yl isovalerate, IFRA_STD_245.pdf, 51, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.077 [Products applied to the lips], 0.023 [Products applied to the axillae], 0.46 [Products applied to the face, body using fingertips], 0.43 [Products related to fine fragrances], 0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.11 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.037 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.25 [Products with oral and lip exposure], 0.88 [Rinse-off products applied to the hair with some hand contact], 0.88 [Leave-on products applied to the hair with some hand contact], 0.037 [Products with significant anogenital exposure (tampon)], 0.84 [Products with body and hand exposure, primarily rinse off], 1.8 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.0 [Household care products with mostly hand contact (household aerosol, 0.037 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.037 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], General Manufacturing Information: Butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester: ACTIVE.
Cis-3-hexenyl isovalerate natural is a carbon-based organic compound with CAS registry number 35154-45-1 and molecular formula C11H20O2 (molecular weight 184.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35154-45-1
Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms.
Also known as: Cis-3-hexenyl isovalerate natural · cis-3-hexenyl isovalerate · Cis-3-hexenyl isovalerate synthetic
Category: organic chemicals
The CAS registry number of Cis-3-hexenyl isovalerate natural is 35154-45-1.
Molecular formula C11H20O2, molecular weight 184.27.
It is also registered under: Cis-3-hexenyl isovalerate natural, cis-3-hexenyl isovalerate, Cis-3-hexenyl isovalerate synthetic.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, IFRA Fragrance Standards: cis-3-Hexenyl isovalerate, cis-3-Hexenyl isovalerate, (Z)-Hex-3-enyl isovalerate, Hex-3-en-1-yl 3-methylbutanoate, Isovaleric acid, 3-hexenyl ester, (z)-, (Z)-3-Hexen-1-yl isovalerate, IFRA_STD_245.pdf, 51, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.077 [Products applied to the lips], 0.023 [Products applied to the axillae], 0.46 [Products applied to the face, body using fingertips], 0.43 [Products related to fine fragrances], 0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.11 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.037 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.25 [Products with oral and lip exposure], 0.88 [Rinse-off products applied to the hair with some hand contact], 0.88 [Leave-on products applied to the hair with some hand contact], 0.037 [Products with significant anogenital exposure (tampon)], 0.84 [Products with body and hand exposure, primarily rinse off], 1.8 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.0 [Household care products with mostly hand contact (household aerosol, 0.037 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.037 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], General Manufacturing Information: Butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Cis-3-hexenyl isovalerate natural (CAS 35154-45-1), compiled from public chemistry databases.
| CAS Registry Number | 35154-45-1 |
|---|---|
| PubChem CID | 5367681 |
| Molecular formula | C11H20O2 |
| IUPAC name | [(Z)-hex-3-enyl] 3-methylbutanoate |
| UNII (FDA) | L9KN8775G8 |
| FEMA number | 3498 |
| JECFA number | 202 |
| Molecular Weight | 184.27 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 184.146329876 |
| Monoisotopic Mass | 184.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 98.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 199 °C |
| Density | 0.874-0.876 |
| Refractive Index | 1.429-1.435 |
cis-3-Hexenyl isovalerate; (Z)-3-Hexenyl isovalerate; 35154-45-1; [(Z)-hex-3-enyl] 3-methylbutanoate; cis-3-Hexenyl isopentanoate; (Z)-3-Hexen-1-yl isovalerate; (Z)-Hex-3-enyl isovalerate; (Z)-3-Hexenyl 3-methylbutyrate; 3-Hexenyl isopentanoate; Hex-3-enyl isovalerate; (Z)-Hex-3-enyl 3-methylbutanoate; Isovaleric acid, 3-hexenyl ester; cis-Hex-3-enyl 3-methylbutanoate; 3-Hexenyl 3-methylbutanoate; FEMA No. 3498; 3-Hexenyl isovalerate, (3Z)-
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/52 |
|---|---|
| GHS notification summary | 82.8% (198 / 239) |
| GHS notification summary | 82.8% (198 / 239) |
|---|---|
| Reported hazard statements | H226 (17.2%) |
This chemical does not meet GHS hazard criteria for 82.8% (198 of 239) of all reports.
H226 (17.2%): Flammable liquid and vapor [Warning Flammable liquids]
Cis-3-hexenyl isovalerate synthetic · CAS 35154-45-1 · C11H20O2. UNII L9KN8775G8. Boiling Point: 98.00 °C. @ 15.00 mm Hg; Boiling Point: 199 °C; Density: 0.874-0.876.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.