BENZYL ISOVALERATE (CAS 103-38-8) — formula C12H16O2, molecular weight 192.12 g/mol; category organic chemicals.
BENZYL ISOVALERATE is a carbon-based organic compound with CAS registry number 103-38-8 and molecular formula C12H16O2 (molecular weight 192.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 103-38-8
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: BENZYL ISOVALERATE · Benzyl isovalerate FCC
Category: organic chemicals
The CAS registry number of BENZYL ISOVALERATE is 103-38-8.
Molecular formula C12H16O2, molecular weight 192.12 g/mol.
It is also registered under: BENZYL ISOVALERATE, Benzyl isovalerate FCC.
Category: Organic Chemicals.
Public-database records for BENZYL ISOVALERATE (CAS 103-38-8), reproduced here for independent cross-checking.
| GHS 通报统计 | 99.5% (1603 / 1611) |
|---|
| 法规与食品接触 | 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 通报统计 | 99.5% (1603 / 1611) |
| 沸点 | 116.00 °C. @ 9.00 mm Hg |
|---|---|
| LogP | 3.26 |
| CAS 号 | 103-38-8 |
|---|---|
| PubChem CID | 7651 |
| 分子式 | C12H16O2 |
| 分子量 | 192.12 g/mol |
| IUPAC 名称 | benzyl 3-methylbutanoate |
| InChIKey | HVJKZICIMIWFCP-UHFFFAOYSA-N |
| UNII（FDA） | 87UKH01DMA |
| ChEBI 编号 | CHEBI:179904 |
| FEMA 编号 | 2152 |
Benzyl isovalerate; Benzyl 3-methylbutanoate; 103-38-8; Butanoic acid, 3-methyl-, phenylmethyl ester; Benzyl isopentanoate; Benzyl isovalerianate; Benzyl 3-methylbutyrate; ISOVALERIC ACID, BENZYL ESTER; Benzyl 3-methyl butyrate; Phenylmethyl 3-methylbutanoate; Isopropyl acetic acid, benzyl ester; Isopentanoic acid, phenylmethyl ester; NSC 46124; FEMA No. 2152; Phenylmethyl isovalerate; Butanoic acid, 3-methyl-, phenylethyl ester
| 分子量 | 192.25 |
|---|---|
| XLogP3 | 3.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 192.115029749 |
| 单同位素质量 | 192.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
异戊酸卞酯 的 CAS 号为 103-38-8，分子式 C12H16O2，分子量 192.12 g/mol。 UNII 87UKH01DMA; ChEBI 179904; InChIKey HVJKZICIMIWFCP-UHFFFAOYSA-N. 沸点: 116.00 °C. @ 9.00 mm Hg; LogP: 3.26.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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