HEXYL ISOVALERATE (CAS 10632-13-0) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
| CAS Number | 10632-13-0 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 |
| Boiling Point | 215.00 °C. @ 760.00 mm Hg |
| LogP | 3.7 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, hexyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, hexyl ester: ACTIVE.
HEXYL ISOVALERATE is a carbon-based organic compound with CAS registry number 10632-13-0 and molecular formula C11H22O2 (molecular weight 186.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10632-13-0
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: HEXYL ISOVALERATE · 异戊酸己酯
Category: organic chemicals
The CAS registry number of HEXYL ISOVALERATE is 10632-13-0.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: HEXYL ISOVALERATE, 异戊酸己酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, hexyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for HEXYL ISOVALERATE (CAS 10632-13-0), compiled from public chemistry databases.
| CAS Registry Number | 10632-13-0 |
|---|---|
| PubChem CID | 61455 |
| Molecular formula | C11H22O2 |
| IUPAC name | hexyl 3-methylbutanoate |
| UNII (FDA) | 5FJ2M7YCY6 |
| FEMA number | 3500 |
| JECFA number | 199 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 215.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 215 °C |
| Density | 0.853-0.857 |
| Refractive Index | 1.417-1.421 |
Hexyl isovalerate; Hexyl 3-methylbutanoate; 10032-13-0; Hexyl isopentanoate; Butanoic acid, 3-methyl-, hexyl ester; n-Hexyl isopentanoate; Hexyl isovaleriate; Isovaleric acid, hexyl ester; 3-Methylbutyric acid hexyl ester; Hexyl isovalerianate; Hexyl 3-methyl butanoate; FEMA No. 3500; n-Hexyl iso-valerate; 5FJ2M7YCY6; Hexyl 3-methylbutyrate; 3-Methylbutanoic acid hexyl ester
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 97.9% (92 / 94) |
| GHS notification summary | 97.9% (92 / 94) |
|---|
This chemical does not meet GHS hazard criteria for 97.9% (92 of 94) of all reports.
Reported as not meeting GHS hazard criteria by 92 of 94 companies (only 2.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
HEXYL ISOVALERATE · CAS 10632-13-0 · C11H22O2. UNII 5FJ2M7YCY6. Boiling Point: 215.00 °C. @ 760.00 mm Hg; Boiling Point: 215 °C; Density: 0.853-0.857.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸己酯