Heptatriacontane
Basic information
- CAS
7194-84-5- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
PXEZIKSRSYGOED-UHFFFAOYSA-N- Molecular formula
- C37H76
- Average molar mass
- 521 g/mol
- Monoisotopic mass
- 520.59470242
Overview
heptatriacontane has been reported in Hibiscus, Cannabis sativa, and Angelica dahurica with data available.
Names & identifiers
- Preferred name
- Heptatriacontane
- IUPAC
- heptatriacontane
- English name
- N-Heptatriacontane
- Molecular formula
- C37H76
- Molecular weight
- 521
Names & synonyms
HeptatriacontaneN-HEPTATRIACONTANE7194-84-53HHO62R7RMEINECS 230-559-8UNII-3HHO62R7RMDTXSID0064591RefChem:145704DTXCID5047166230-559-8PXEZIKSRSYGOED-UHFFFAOYSA-NMFCD00042945
Show more names
ALKANE C37Heptatriacontane>Farnesane Impurity 67N-HEPTATRIACONTANE 95+%HEPTATRIACONTANE, STANDARD FOR GC
C37H76Heptatriacontane, >=95.0%SCHEMBL198770SCHEMBL198771SCHEMBL200202SCHEMBL200285SCHEMBL200561SCHEMBL423881
Database identifiers
- CAS
7194-84-5- PubChem CID
- 23598
- DTXSID
DTXSID0064591- UNII
- 3HHO62R7RM
- EC Number
- 230-559-8
- Nikkaji
- J227.435C
Properties
Computed structural properties
- XLogP
- 19.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 34
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 325
Experimental & physicochemical properties
Chemical Classesn-Alkane
Physicochemical properties
- Melting point
- 77 · 77-79 °C
- Boiling point
- 502.6 °C · 502.6°C (estimate)
- Density
- 0.9084 · 0.9084 (estimate)
- refractive index
- 1.4677 · 1.4677 (estimate)
- Water Solubility
- Insoluble in water
- color
- White to Almost white
- BRN
- 1713110 · 1713110
- LogP
- 19.558 · 19.558 (est)
- FDA UNII
- 3 HHO62R7RM · 3HHO62R7RM
- EPA Substance Registry System
- Heptatriacontane (7194-84-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · 3
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% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2901.10.5000
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptatriacontane: INACTIVE
Applications
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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