3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran (CAS 72429-08-4) — formula C13H24O, molecular weight 196.33; category organic chemicals.
| CAS Number | 72429-08-4 |
|---|---|
| Molecular Formula | C13H24O |
| Molecular Weight | 196.33 |
| LogP | 3.8 |
| Applications | Use Classification: Fragrance Ingredients, General Manufacturing Information: 1H-2-Benzopyran, 3, 4, 4a, 5, 8, 8a(or 3, 7, 8a)-hexahydro-3, 6, 7-tetramethyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: 1H-2-Benzopyran, 3, 4, 4a, 5, 8, 8a(or 3, 7, 8a)-hexahydro-3, 6, 7-tetramethyl-: ACTIVE.
3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran is a carbon-based organic compound with CAS registry number 72429-08-4 and molecular formula C13H24O (molecular weight 196.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72429-08-4
Its molecular formula C13H24O comprises 13 C, 24 H, 1 O atoms.
Also known as: 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran · 氧化苦橙醚
Category: organic chemicals
The CAS registry number of 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran is 72429-08-4.
Molecular formula C13H24O, molecular weight 196.33.
It is also registered under: 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran, 氧化苦橙醚.
Recorded applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: 1H-2-Benzopyran, 3, 4, 4a, 5, 8, 8a(or 3, 7, 8a)-hexahydro-3, 6, 7-tetramethyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran (CAS 72429-08-4), compiled from public chemistry databases.
| CAS 号 | 72429-08-4 |
|---|---|
| PubChem CID | 3085817 |
| 分子式 | C13H24O |
| IUPAC 名称 | (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
| UNII（FDA） | NS00012549 |
| Molecular Weight | 196.33 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 196.182715385 |
| Monoisotopic Mass | 196.182715385 |
| Topological Polar Surface Area | 9.2 |
| Heavy Atom Count | 14 |
EINECS 276-659-5; 3,4,4a,5,8,8a(Or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran; 3,3,6,7-Tetramethylhexahydro-1H-2-benzopyran; 72429-08-4; 3,4,4a,5,8,8a-Hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran; 1H-2-Benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-; RefChem:437980; DTXCID1031040; 276-659-5; DTXSID0052467; SCHEMBL1774504; QJXQUYFHUHWIDD-NOOOWODRSA-N; NS00012549
| 已通报的危害声明 | H315 (100%), H319 (100%) |
|---|
氧化苦橙醚 · CAS 72429-08-4 · C13H24O. UNII NS00012549.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氧化苦橙醚