Basic information
- CAS
18435-55-7- Standard SMILES
C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
WMRDPJYQERQCEP-UHFFFAOYSA-N- Molecular formula
- C32H64
- Average molar mass
- 448.8 g/mol
- Monoisotopic mass
- 448.50080204
Overview
1-dotriacontene has been reported in Vanilla madagascariensis, Pourthiaea arguta, and other organisms with data available.
Names & identifiers
- Preferred name
- Dotriacont-1-ene
- IUPAC
- dotriacont-1-ene
- English name
- dotriacontan-1-ene
- Molecular formula
- C32H64
- Molecular weight
- 448.85
Names & synonyms
dotriacont-1-eneRefChem:756601-dotriaconteneDotriacontan-1-ene18435-55-71XV928K1PMUNII-1XV928K1PMEINECS 242-315-8SCHEMBL1548802SCHEMBL1548803SCHEMBL10980289SCHEMBL23607891
Show more names
DTXSID60171563NS00026050Q27253118
Database identifiers
- CAS
18435-55-7- PubChem CID
- 87640
- DTXSID
DTXSID60171563- UNII
- 1XV928K1PM
- EC Number
- 242-315-8
- Nikkaji
- J266.174H
Properties
Computed structural properties
- XLogP
- 17.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 29
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 56.7 °C · 56.7°C
- Boiling point
- 467.46 °C · 467.46°C (estimate)
- Density
- 0.9018 · 0.9018 (estimate)
- refractive index
- 1.4767 · 1.4767 (estimate)
- FDA UNII
- 1 XV928K1PM · 1XV928K1PM
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers3 total
北京科易通达科技发展有限公司17743531240 · [email protected]
成都伍源生物工程有限公司17358513851 · [email protected]
PNP Biotech Co. Ltd+86-18516098983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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