Basic information
- CAS
7194-85-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
BVKCQBBZBGYNOP-UHFFFAOYSA-N- Molecular formula
- C38H78
- Average molar mass
- 535 g/mol
- Monoisotopic mass
- 534.61035249
Overview
octatriacontane has been reported in Hibiscus, Asplenium indicum, and Cannabis sativa with data available.
Names & identifiers
- Preferred name
- Octatriacontane
- IUPAC
- octatriacontane
- English name
- N-Octatriacontane
- Molecular formula
- C38H78
- Molecular weight
- 535.03
Names & synonyms
Octatriacontane7194-85-69F9P0JAC5WDTXSID5064592RefChem:167841DTXCID0047167230-560-3N-OCTATRIACONTANEMFCD00042899UNII-9F9P0JAC5WEINECS 230-560-3C38H78
Show more names
ALKANE C38OCTATRICONTANEOCTAPRENYL-MPDAOctatriacontane>Selinexor Impurity 3C15711280 n-OctatriacontaneOctatriacontane >=98.0% (GC)
AI3-36495SCHEMBL197880SCHEMBL197881SCHEMBL198332SCHEMBL198486SCHEMBL198834SCHEMBL1548258SCHEMBL1884814
Database identifiers
- CAS
7194-85-6- PubChem CID
- 23599
- DTXSID
DTXSID5064592- UNII
- 9F9P0JAC5W
- EC Number
- 230-560-3
- Nikkaji
- J150.912H
Properties
Computed structural properties
- XLogP
- 20.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 35
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 77 · 77-79 °C
- Boiling point
- 511.14 °C · 511.14°C (estimate)
- Density
- 0.9101 · 0.9101 (estimate)
- refractive index
- 1.4691 · 1.4691 (estimate)
- form
- flakes
- BRN
- 1713496 · 1713496
- Henry's Law Constant
- 2.2 · 2.2×10-10 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- InChI
- 1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
- InChIKey
- BVKCQBBZBGYNOP-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
- CAS DataBase Reference
- 7194 · 7194-85-6(CAS DataBase Reference)
- FDA UNII
- 9 F9P0JAC5W · 9F9P0JAC5W
- EPA Substance Registry System
- Octatriacontane (7194-85-6)
- UNSPSC Code
- 12352100 · 12352100
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% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationOctatriacontane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctatriacontane: INACTIVE
Applications
UsesN-octatriacontane is an ester product.
Suppliers56 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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