Cis-3-hexenyl isovalerate natural（CAS 35154-45-1）：分子式 C11H20O2、分子量 184.27；类别 有机化学品。
| CAS号 | 35154-45-1 |
|---|---|
| 分子式 | C11H20O2 |
| 分子量 | 184.27 |
| 沸点 | 98.00 °C. @ 15.00 mm Hg |
| LogP | 3.2 |
| 应用领域 | 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 |
| 类别 | Organic Chemicals |
登记用途：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 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 35154-45-1，分子式 C11H20O2（分子量 184.27），归属于有机化学品大类化工原料。
登记 CAS 号：35154-45-1
其分子式 C11H20O2 由 11 个碳、20 个氢、2 个氧 组成。
别名/同义词：Cis-3-hexenyl isovalerate natural · cis-3-hexenyl isovalerate · Cis-3-hexenyl isovalerate synthetic
所属分类：有机化学品
Cis-3-hexenyl isovalerate natural 的 CAS 登记号为 35154-45-1。
分子式 C11H20O2，分子量 184.27。
别名/同义词：Cis-3-hexenyl isovalerate natural、cis-3-hexenyl isovalerate、Cis-3-hexenyl isovalerate synthetic。
登记用途：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。
所属分类：Organic Chemicals。
Cis-3-hexenyl isovalerate natural（CAS 35154-45-1）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Cis-3-hexenyl isovalerate natural