1,1-dimethyl-3-phenylpropyl acetate (CAS 103-07-1) — formula C13H18O2, molecular weight 206.28; category organic chemicals.
| CAS Number | 103-07-1 |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| Boiling Point | 243.00 to 244.00 °C. @ 760.00 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., .alpha.-dimethyl-, 1-acetate: 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., .alpha.-dimethyl-, 1-acetate: ACTIVE.
1,1-dimethyl-3-phenylpropyl acetate is a carbon-based organic compound with CAS registry number 103-07-1 and molecular formula C13H18O2 (molecular weight 206.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 103-07-1
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: 1,1-dimethyl-3-phenylpropyl acetate · 1,1-二甲基-3-苯基丙醇乙酸酯 · Dimethyl phenethyl carbinyl acetate
Category: organic chemicals
The CAS registry number of 1,1-dimethyl-3-phenylpropyl acetate is 103-07-1.
Molecular formula C13H18O2, molecular weight 206.28.
It is also registered under: 1,1-dimethyl-3-phenylpropyl acetate, 1,1-二甲基-3-苯基丙醇乙酸酯, Dimethyl phenethyl carbinyl acetate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, .alpha., .alpha.-dimethyl-, 1-acetate: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1,1-dimethyl-3-phenylpropyl acetate (CAS 103-07-1), compiled from public chemistry databases.
| CAS Registry Number | 103-07-1 |
|---|---|
| PubChem CID | 7633 |
| Molecular formula | C13H18O2 |
| Molecular weight | 206.13 g/mol |
| IUPAC name | (2-methyl-4-phenylbutan-2-yl) acetate |
| InChIKey | ZXFNOEJFYLQUSB-UHFFFAOYSA-N |
| UNII (FDA) | 9YRG98MG30 |
| FEMA number | 2735 |
| JECFA number | 1460 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 243.00 to 244.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 244 °C |
| Density | 0.986-0.990 (15 °C) |
| Refractive Index | 1.488-1.490 |
2-Methyl-4-phenyl-2-butyl acetate; RefChem:475593; 103-07-1; 1,1-Dimethyl-3-phenylpropyl acetate; Dmpec acetate; Dimethylphenylethylcarbinyl acetate; Dimethyl phenethyl carbinyl acetate; 2-Methyl-4-phenyl-2-acetoxybutane; FEMA No. 2735; Dimethylphenethylcarbinyl acetate; (2-methyl-4-phenylbutan-2-yl) acetate; Phenylethyl dimethyl carbinyl acetate; 2-methyl-4-phenylbutan-2-yl acetate; 2-Methyl-4-phenyl-2-butanyl acetate; alpha,alpha-Dimethylbenzenepropyl acetate; 2-Butanol, 2-methyl-4-phenyl-, acetate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 notification summary | 86.1% (235 / 273) |
| GHS notification summary | 86.1% (235 / 273) |
|---|---|
| Reported hazard statements | H317 (13.9%) |
This chemical does not meet GHS hazard criteria for 86.1% (235 of 273) of all reports.
H317 (13.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Dimethyl phenethyl carbinyl acetate is identified by CAS 103-07-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 9YRG98MG30; InChIKey ZXFNOEJFYLQUSB-UHFFFAOYSA-N. Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Density: 0.986-0.990 (15 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,1-二甲基-3-苯基丙醇乙酸酯