1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate (CAS 93805-75-5) — formula C21H28O2, molecular weight 312.4; category organic chemicals.
| CAS Number | 93805-75-5 |
|---|---|
| Molecular Formula | C21H28O2 |
| Molecular Weight | 312.4 |
| LogP | 5.2 |
| Category | Organic Chemicals |
1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate is a carbon-based organic compound with CAS registry number 93805-75-5 and molecular formula C21H28O2 (molecular weight 312.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93805-75-5
Its molecular formula C21H28O2 comprises 21 C, 28 H, 2 O atoms.
Also known as: 1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate · 1-甲基-3-(2,6,6-三甲基-2-环己烯-1-基)烯丙基苯乙酸酯
Category: organic chemicals
The CAS registry number of 1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate is 93805-75-5.
Molecular formula C21H28O2, molecular weight 312.4.
It is also registered under: 1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate, 1-甲基-3-(2,6,6-三甲基-2-环己烯-1-基)烯丙基苯乙酸酯.
Category: Organic Chemicals.
Independent reference data for 1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate (CAS 93805-75-5), compiled from public chemistry databases.
| CAS 号 | 93805-75-5 |
|---|---|
| PubChem CID | 16205804 |
| 分子式 | C21H28O2 |
| IUPAC 名称 | [(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl] 2-phenylacetate |
| UNII（FDA） | NS00064953 |
| Molecular Weight | 312.4 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 312.208930132 |
| Monoisotopic Mass | 312.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 23 |
EINECS 298-559-0; 93805-75-5; 1-Methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate; RefChem:231709; 298-559-0; JLOVXOSAZQUCOT-OUKQBFOZSA-N; NS00064953
1-甲基-3-(2,6,6-三甲基-2-环己烯-1-基)烯丙基苯乙酸酯 · CAS 93805-75-5 · C21H28O2. UNII NS00064953.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.