phenethyl 2-methylisocrotonate (CAS 61692-79-3) — formula C13H16O2, molecular weight 204.26; category organic chemicals.
| CAS Number | 61692-79-3 |
|---|---|
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.26 |
| Boiling Point | 139.00 to 140.00 °C. @ 7.00 mm Hg |
| LogP | 3.3 |
| Category | Organic Chemicals |
phenethyl 2-methylisocrotonate is a carbon-based organic compound with CAS registry number 61692-79-3 and molecular formula C13H16O2 (molecular weight 204.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 61692-79-3
Its molecular formula C13H16O2 comprises 13 C, 16 H, 2 O atoms.
Also known as: phenethyl 2-methylisocrotonate · 2-甲基异巴豆酸苯乙酯
Category: organic chemicals
The CAS registry number of phenethyl 2-methylisocrotonate is 61692-79-3.
Molecular formula C13H16O2, molecular weight 204.26.
It is also registered under: phenethyl 2-methylisocrotonate, 2-甲基异巴豆酸苯乙酯.
Category: Organic Chemicals.
Independent reference data for phenethyl 2-methylisocrotonate (CAS 61692-79-3), compiled from public chemistry databases.
| CAS 号 | 61692-79-3 |
|---|---|
| PubChem CID | 6432903 |
| 分子式 | C13H16O2 |
| IUPAC 名称 | 2-phenylethyl (Z)-2-methylbut-2-enoate |
| UNII（FDA） | NS00085825 |
| Molecular Weight | 204.26 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 204.115029749 |
| Monoisotopic Mass | 204.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 139.00 to 140.00 °C. @ 7.00 mm Hg |
|---|
Benzylcarbinyl tiglate; 2-Phenylethyl trans-2,3-dimethylacrylate; RefChem:478176; Phenethyl 2-methylisocrotonate; beta-Phenethyl angelate; 61692-79-3; EINECS 262-902-2; 2-PHENYLETHYL (2Z)-2-METHYLBUT-2-ENOATE; Phenyl ethyl tiglate; Phenylethyl-alpha-methylbutenoate; 2-Phenylethyl trans-2-methylbutenoate; Benzyl carbinyl tiglate; 2-Phenylethanol tiglate; beta -phenylethyl tiglate; 2-BUTENOIC ACID, 2-METHYL-, PHENETHYL ESTER; SCHEMBL872898
| 法规与食品接触 | FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 913-JECFA 59/53 FAS 50-JECFA 59/215 |
|---|
2-甲基异巴豆酸苯乙酯 · CAS 61692-79-3 · C13H16O2. UNII NS00085825. Boiling Point: 139.00 to 140.00 °C. @ 7.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基异巴豆酸苯乙酯