Basic information
- CAS
2882-96-4- Standard SMILES
CCCCCCCCCCCCC(C)CC- InChIKey
FWXKCXJPHSAYMK-UHFFFAOYSA-N- Molecular formula
- C16H34
- Average molar mass
- 226.44 g/mol
- Monoisotopic mass
- 226.26605109
Overview
3-methylpentadecane is an alkane.
Names & identifiers
- Preferred name
- 3-Methylpentadecane
- IUPAC
- 3-methylpentadecane
- English name
- 3-Methylpentadecane
- Molecular formula
- C16H34
- Molecular weight
- 226.44
Names & synonyms
3-METHYLPENTADECANE2882-96-4Pentadecane, 3-methyl-3-methyl-pentadecaneX64R3JC095UNII-X64R3JC095DTXSID30880751Pentadecane, 3methylRefChem:94945DTXCID001022112680-586-8FWXKCXJPHSAYMK-UHFFFAOYSA-N
Show more names
pentadecane,3-methyl-3-Methylpentadecane in isooctane
Tridecane, ethylmethyl-SCHEMBL99299SCHEMBL1116076SCHEMBL2577161SCHEMBL4618899SCHEMBL5984100SCHEMBL10987570SCHEMBL11324250
Database identifiers
- CAS
2882-96-4- PubChem CID
- 17899
- DTXSID
DTXSID30880751- ChEBI
CHEBI:191242- UNII
- X64R3JC095
- EC Number
- 680-586-8
- Nikkaji
- J530.312E
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [Ultra Scientific MSDS]
Physicochemical properties
- Melting point
- -22.3 °C · -22.3°C
- Boiling point
- 282 °C · 282°C
- Density
- 0.773 · 0.7730
- refractive index
- 1.4339 · 1.4339
- Henry's Law Constant
- 1.2 · 1.2×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 9.07 · 9.070 (est)
- FDA UNII
- 64 R3JC095 · X64R3JC095
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 ClassificationNot Classified
Hazard information
Hazards SummarySee Heptadecane.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
Additional notes
DefinitionChEBI: 3-methyl-pentadecane is an alkane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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