Basic information
- CAS
529-08-8- Standard SMILES
Cc1cccc(C)c2cc(C(C)C)cc1-2- InChIKey
APVKGMMYGFJZHY-UHFFFAOYSA-N- Molecular formula
- C15H18
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.14085057
Overview
vetivazulene has been reported in Lepidozia vitrea with data available.
Names & identifiers
- Preferred name
- Vetivazulene
- IUPAC
- 4,8-dimethyl-2-propan-2-ylazulene
- English name
- 2-isopropyl-4,8-dimethylazulene
- Molecular formula
- C15H18
- Molecular weight
- 198.3
Names & synonyms
Vetivazulene2-Isopropyl-4,8-dimethylazulene5DFF5RUP6XEINECS 208-450-1DTXSID80200940AZULENE, 2-ISOPROPYL-4,8-DIMETHYL-Azulene, 4,8-dimethyl-2-(1-methylethyl)-4,8-DIMETHYL-2-(1-METHYLETHYL)AZULENE (ACI)4,8-dimethyl-2-propan-2-ylazuleneRefChem:194156DTXCID101234314,8-DIMETHYL-2-(1-METHYLETHYL)AZULENE
Show more names
4,8-Dimethyl-2-isopropylazulene4,8-dimethyl-2-propan-2-yl-azulene
APVKGMMYGFJZHY-UHFFFAOYSA-N529-08-84,8-dimethyl-2-(propan-2-yl)azuleneUNII-5DFF5RUP6XSCHEMBL2581740SCHEMBL6303227NS00042487Q2862043
Database identifiers
- CAS
529-08-8- PubChem CID
- 68253
- DTXSID
DTXSID80200940- UNII
- 5DFF5RUP6X
- EC Number
- 208-450-1
- Nikkaji
- J182.294B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 32.3 °C · 32.3°C
- Boiling point
- 270.64 °C · 270.64°C (rough estimate)
- Density
- 0.9735 · 0.9735
- refractive index
- 1.3166 · 1.3166 (estimate)
- FDA UNII
- 5 DFF5RUP6X · 5DFF5RUP6X
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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