[1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate (CAS 51546-61-3) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
| CAS Number | 51546-61-3 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 |
| LogP | 3.6 |
| Category | Organic Chemicals |
[1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate is a carbon-based organic compound with CAS registry number 51546-61-3 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51546-61-3
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: [1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate · [1S-(1α,2α,5α)]-5-(异丙基)-2-甲基环己基乙酸酯
Category: organic chemicals
The CAS registry number of [1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate is 51546-61-3.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: [1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate, [1S-(1α,2α,5α)]-5-(异丙基)-2-甲基环己基乙酸酯.
Category: Organic Chemicals.
Independent reference data for [1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate (CAS 51546-61-3), compiled from public chemistry databases.
| CAS 号 | 51546-61-3 |
|---|---|
| PubChem CID | 89383 |
| 分子式 | C12H22O2 |
| IUPAC 名称 | (2-methyl-5-propan-2-ylcyclohexyl) acetate |
| UNII（FDA） | NS00088164 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
Neocarvomenthyl acetate; Neoisocarvomenthyl acetate; 7460-78-8; 5-Isopropyl-2-methylcyclohexyl acetate #; EINECS 244-027-8; EINECS 257-265-2; EINECS 257-268-9; SCHEMBL651247; SCHEMBL6716947; (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate; (1)-(1alpha,2beta,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate; (1S-(1alpha,2alpha,5alpha))-5-(Isopropyl)-2-methylcyclohexyl acetate; NSC404222; NSC-404222; 51547-99-0; NS00088164
[1S-(1α,2α,5α)]-5-(异丙基)-2-甲基环己基乙酸酯 · CAS 51546-61-3 · C12H22O2. UNII NS00088164.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.