1-Triacontene
Basic information
- CAS
18435-53-5- Standard SMILES
C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
WMZHDICSCDKPFS-UHFFFAOYSA-N- Molecular formula
- C30H60
- Average molar mass
- 420.8 g/mol
- Monoisotopic mass
- 420.46950191
Overview
1-triacontene has been reported in Commiphora myrrha with data available.
Names & identifiers
- Preferred name
- 1-Triacontene
- IUPAC
- triacont-1-ene
- English name
- 1-TRIACONTENE
- Molecular formula
- C30H60
- Molecular weight
- 420.8
Names & synonyms
1-Triacontenetriacont-1-ene18435-53-5UNII-Q9JA45UU2RQ9JA45UU2REINECS 242-314-2DTXSID5066378RefChem:6725DTXCID1035862242-314-236731-14-31-Triacontene, contains C26-54 homologs
Show more names
TRIACONTENE
SCHEMBL180962SCHEMBL1610623SCHEMBL6937993SCHEMBL8209535SCHEMBL9785134NS00021785Q27287152
Database identifiers
- CAS
18435-53-5、36731-14-3- PubChem CID
- 87639
- DTXSID
DTXSID5066378- UNII
- Q9JA45UU2R
- EC Number
- 242-314-2
- Nikkaji
- J266.173J
Properties
Computed structural properties
- XLogP
- 16.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 27
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 62.4 °C · 62.4°C
- Boiling point
- 447.89 °C · 447.89°C (estimate)
- Density
- 0.8118 · 0.8118 (estimate)
- refractive index
- 1.4732 · 1.4732 (estimate)
- FDA UNII
- 9 JA45UU2R · Q9JA45UU2R
- EPA Substance Registry System
- 1 · 1-Triacontene (18435-53-5)
- TSCA
- TSCA listed
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% (13 of 13) of all reports.
Not Classified
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1-Triacontene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Triacontene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 550,000 - <1,000,000 lb
Consumer UsesOther
General Manufacturing Information
1-Triacontene: ACTIVE
Triacontene: ACTIVE
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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