Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha) (CAS 94400-98-3) — formula C16H26O, molecular weight 234.38; category organic chemicals.
| CAS Number | 94400-98-3 |
|---|---|
| Molecular Formula | C16H26O |
| Molecular Weight | 234.38 |
| LogP | 3.8 |
| Applications | Use Classification: Fragrance Ingredients, General Manufacturing Information: Naphth[2, 3-b]oxirene, 1a, 2, 3, 4, 5, 6, 7, 7a-octahydro-1a, 6-hexamethyl-, (1aR, 4S, 7aS)-rel-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Naphth[2, 3-b]oxirene, 1a, 2, 3, 4, 5, 6, 7, 7a-octahydro-1a, 6-hexamethyl-, (1aR, 4S, 7aS)-rel-: ACTIVE.
Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha) is a carbon-based organic compound with CAS registry number 94400-98-3 and molecular formula C16H26O (molecular weight 234.38), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94400-98-3
Its molecular formula C16H26O comprises 16 C, 26 H, 1 O atoms.
Also known as: Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha) · 萘[2,3-b]环氧啉，1a,2,3,4,5,6,7,7a-八氢-1a,3,3,4,6,6-六甲基-, (1aalpha,4alpha,7aalpha)
Category: organic chemicals
The CAS registry number of Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha) is 94400-98-3.
Molecular formula C16H26O, molecular weight 234.38.
It is also registered under: Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha), 萘[2,3-b]环氧啉，1a,2,3,4,5,6,7,7a-八氢-1a,3,3,4,6,6-六甲基-, (1aalpha,4alpha,7aalpha).
Recorded applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Naphth[2, 3-b]oxirene, 1a, 2, 3, 4, 5, 6, 7, 7a-octahydro-1a, 6-hexamethyl-, (1aR, 4S, 7aS)-rel-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha) (CAS 94400-98-3), compiled from public chemistry databases.
| CAS 号 | 94400-98-3 |
|---|---|
| PubChem CID | 44152188 |
| 分子式 | C16H26O |
| IUPAC 名称 | (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene |
| UNII（FDA） | XRC77M2QTL |
| Molecular Weight | 234.38 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 234.198365449 |
| Monoisotopic Mass | 234.198365449 |
| Topological Polar Surface Area | 12.5 |
| Heavy Atom Count | 17 |
Moxalone; 94400-98-3; XRC77M2QTL; Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-; DTXSID50888739; Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-; NAPHTH(2,3-B)OXIRENE, 1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYL-, (1A.ALPHA.,4.ALPHA.,7A.ALPHA.)-; REL-(1AR,4S,7AS)-1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYLNAPHTH(2,3-B)OXIRENE; rel-(1aR,4S,7aS)-1a,2,3,4,5,6,7,7a-Octahydro-1a,3,3,4,6,6-hexamethylnaphth[2,3-b]oxirene; RefChem:201840; DTXCID001028015; 426-970-9; 639-635-9; NAPHTH(2,3-B)OXIRENE, 1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYL-, (1AALPHA,4ALPHA,7AALPHA)-; UNII-XRC77M2QTL; (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene
| 已通报的危害声明 | H411 (99.8%), H400 (71.4%), H410 (100%) |
|---|
萘[2,3-b]环氧啉，1a,2,3,4,5,6,7,7a-八氢-1a,3,3,4,6,6-六甲基-, (1aalpha,4alpha,7aalpha) · CAS 94400-98-3 · C16H26O. UNII XRC77M2QTL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 萘[2,3-b]环氧啉，1a,2,3,4,5,6,7,7a-八氢-1a,3,3,4,6,6-六甲基-, (1aalpha,4alpha,7aalpha)