Basic information
- CAS
53905-38-7- Standard SMILES
COC(C)(C)CCCC(C)CCCc1ccc(C(C)C)cc1- InChIKey
LTNBHNLTEGZRFB-UHFFFAOYSA-N- Molecular formula
- C21H36O
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.27661577
Overview
structure
Names & identifiers
- Preferred name
- AI 3-36206
- IUPAC
- 1-(8-methoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene
- English name
- AI 3-36206
- Molecular formula
- C21H36O
- Molecular weight
- 304.50994
Names & synonyms
AI 3-362062-methoxy-9-(p-isopropylphenyl)-2,6-dimethylnonaneRefChem:915302Benzene, 1-(8-methoxy-4,8-dimethylnonyl)-4-(1-methylethyl)Pro-drone53905-38-71-(8-Methoxy-4,8-dimethylnonyl)-4-(1-methylethyl)benzeneMV-6781-(8-methoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzeneBENZENE, 1-(8-METHOXY-4,8-DIMETHYLNONYL)-4-(1-METHYLETHYL)-3A7GUL4C83Caswell No. 584C
Show more names
MV678MV 678Pro-DroneR
EPA Pesticide Chemical Code 119501UNII-3A7GUL4C83AI3-36206PRO-DRONE [MI]orb1985399SCHEMBL9313151DTXSID00343581-(8-methoxy-4,8-dimethylnonyl)-4-(propan-2-yl)benzene
Database identifiers
- CAS
53905-38-7- PubChem CID
- 62071
- DTXSID
DTXSID0034358- UNII
- 3A7GUL4C83
- Nikkaji
- J1.617.782B
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 405.32 °C · 405.32°C (rough estimate)
- Density
- 0.9096 · 0.9096 (rough estimate)
- refractive index
- 1.4675 · 1.4675 (estimate)
- FDA UNII
- 3 A7GUL4C83 · 3A7GUL4C83
- EPA Substance Registry System
- 1 · 1-(8-Methoxy-4,8-dimethylnonyl)-4-(1-methylethyl)benzene (53905-38-7)
Chemistry & industry
Applications
UsesInsecticide.
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
3 records
Compound notes
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