2-Methyl-1-hexadecanol
Basic information
- CAS
2490-48-4- Standard SMILES
CCCCCCCCCCCCCCC(C)CO- InChIKey
FCSBKDJGLIURSH-UHFFFAOYSA-N- Molecular formula
- C17H36O
- Average molar mass
- 256.5 g/mol
- Monoisotopic mass
- 256.27661577
Overview
2-Methylhexadecan-1-ol has been reported in Foeniculum vulgare with data available.
Names & identifiers
- Preferred name
- 2-Methyl-1-hexadecanol
- IUPAC
- 2-methylhexadecan-1-ol
- English name
- 1-Hexadecanol,2-methyl-
- Molecular formula
- C17H36O
- Molecular weight
- 256.47
Names & synonyms
2-Methylhexadecan-1-ol2-METHYL-1-HEXADECANOL1-Hexadecanol, 2-methyl-DTXSID70947791RefChem:87993DTXCID701376043FCSBKDJGLIURSH-UHFFFAOYSA-N2490-48-41-hexadecanol, 2-methyl2-Methyl-1-hexadecanol #Hexadecanoic Acid Impurity 2SCHEMBL704286
Show more names
1-Hexadecanol,2-methyl-
SCHEMBL3739044
Database identifiers
- CAS
2490-48-4、68526-87-4- PubChem CID
- 17218
- DTXSID
DTXSID70947791- Nikkaji
- J108.562J
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physicochemical properties
- Boiling point
- 152 · 152-153 °C(Press: 0.4 Torr)
- Density
- 0.835 · 0.835±0.06 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Cetyl alcohol.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
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Related reactions
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Compound notes
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