Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol) (CAS 7779-78-4) — formula C12H18O, molecular weight 178.14 g/mol.
Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol) is a chemical compound with CAS registry number 7779-78-4 and molecular formula C12H18O (molecular weight 178.14 g/mol).
CAS number: 7779-78-4
Its molecular formula C12H18O comprises 12 C, 18 H, 1 O atoms.
Also known as: Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol) · 4-methyl-1-phenylpentan-2-ol
The CAS registry number of Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol) is 7779-78-4.
Molecular formula C12H18O, molecular weight 178.14 g/mol.
It is also registered under: Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol), 4-methyl-1-phenylpentan-2-ol.
Public-database records for Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol) (CAS 7779-78-4), reproduced here for independent cross-checking.
| GHS notification summary | 75.2% (121 / 161) |
|---|---|
| Reported hazard statements | H302 (24.2%), H319 (24.2%) |
This chemical does not meet GHS hazard criteria for 75.2% (121 of 161) of all reports.
H302 (24.2%): Harmful if swallowed [Warning Acute toxicity, oral]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 75.2% (121 / 161) |
| 沸点 | 250 °C |
|---|---|
| 密度 | 0.940-0.949 |
| 折射率 | 1.500-1.510 |
| CAS Registry Number | 7779-78-4 |
|---|---|
| PubChem CID | 62661 |
| 分子式 | C12H18O |
| 分子量 | 178.14 g/mol |
| IUPAC 名称 | 4-methyl-1-phenylpentan-2-ol |
| InChIKey | IUADYGVMSDKSMB-UHFFFAOYSA-N |
| UNII（FDA） | 2SBL0E1I0N |
| ChEBI 编号 | CHEBI:197064 |
| FEMA 编号 | 2208 |
| JECFA 编号 | 827 |
7779-78-4; 4-Methyl-1-phenylpentan-2-ol; alpha-Isobutylphenethyl alcohol; FEMA No. 2208; alpha-(2-Methylpropyl)benzeneethanol; DTXSID8047717; Phenethyl alcohol, alpha-isobutyl-; 2SBL0E1I0N; BENZENEETHANOL, ALPHA-(2-METHYLPROPYL)-; Benzylisobutylcarbinol; DTXCID1027710; RefChem:524956; FEMA-2208; COE-2031; 231-939-6; 4-Methyl-1-phenyl-2-pentanol
| 分子量 | 178.27 |
|---|---|
| XLogP3 | 3.5 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 4 |
| 精确质量 | 178.135765193 |
| 单同位素质量 | 178.135765193 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
Isobutyl benzyl carbinol (α-Butyl iso phenethyl alcohol) is identified by CAS 7779-78-4, molecular formula C12H18O and molecular weight 178.14 g/mol. UNII 2SBL0E1I0N; ChEBI 197064; InChIKey IUADYGVMSDKSMB-UHFFFAOYSA-N. 沸点: 250 °C; 密度: 0.940-0.949; Refractive Index: 1.500-1.510.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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