3-methyl-1-phenyl-3-pentanol (CAS 10415-87-9) — formula C12H18O, molecular weight 178.27; category organic chemicals.
| CAS Number | 10415-87-9 |
|---|---|
| Molecular Formula | C12H18O |
| Molecular Weight | 178.27 |
| Boiling Point | 112.00 to 112.50 °C. @ 0.80 mm Hg |
| LogP | 3 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-: 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: Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-: ACTIVE.
3-methyl-1-phenyl-3-pentanol is a carbon-based organic compound with CAS registry number 10415-87-9 and molecular formula C12H18O (molecular weight 178.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10415-87-9
Its molecular formula C12H18O comprises 12 C, 18 H, 1 O atoms.
Also known as: 3-methyl-1-phenyl-3-pentanol · 3-甲基-1-苯基戊-3-醇 · 1-phenyl-3-methyl-3-pentanol
Category: organic chemicals
The CAS registry number of 3-methyl-1-phenyl-3-pentanol is 10415-87-9.
Molecular formula C12H18O, molecular weight 178.27.
It is also registered under: 3-methyl-1-phenyl-3-pentanol, 3-甲基-1-苯基戊-3-醇, 1-phenyl-3-methyl-3-pentanol.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-methyl-1-phenyl-3-pentanol (CAS 10415-87-9), compiled from public chemistry databases.
| CAS 号 | 10415-87-9 |
|---|---|
| PubChem CID | 61516 |
| 分子式 | C12H18O |
| 分子量 | 178.14 g/mol |
| IUPAC 名称 | 3-methyl-1-phenylpentan-3-ol |
| InChIKey | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
| UNII（FDA） | 53PK0CX9TS |
| ChEBI 编号 | CHEBI:172003 |
| FEMA 编号 | 2883 |
| JECFA 编号 | 1649 |
| Molecular Weight | 178.27 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.135765193 |
| Monoisotopic Mass | 178.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 13 |
| Boiling Point | 112.00 to 112.50 °C. @ 0.80 mm Hg |
|---|---|
| Boiling Point | 253-255 °C |
| Density | 0.958-0.965 (20 °C) |
| Refractive Index | 1.508-1.514 |
1-Phenyl-3-methyl-3-pentanol; RefChem:503503; 3-Methyl-1-phenyl-3-pentanol; 3-Methyl-1-phenylpentan-3-ol; 10415-87-9; Phenethylmethylethylcarbinol; lilac pentanol; 3-Pentanol, 3-methyl-1-phenyl-; Phenylethyl methyl ethyl carbinol; Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-; FEMA No. 2883; MFCD00021825; Benzenepropanol, alpha-ethyl-alpha-methyl-; 53PK0CX9TS; Pemec; .beta.-Phenylethylmethylethylcarbinol
| 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 Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 97.6% (1598 / 1637) |
| GHS 通报统计 | 97.6% (1598 / 1637) |
|---|
3-甲基-1-苯基戊-3-醇 的 CAS 号为 10415-87-9，分子式 C12H18O，分子量 178.14 g/mol。 UNII 53PK0CX9TS; ChEBI 172003; InChIKey AEJRTNBCFUOSEM-UHFFFAOYSA-N. Boiling Point: 112.00 to 112.50 °C. @ 0.80 mm Hg; Boiling Point: 253-255 °C; Density: 0.958-0.965 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基-1-苯基戊-3-醇