Basic information
- CAS
38514-03-3- Standard SMILES
CCCCC(C)CCCO- InChIKey
MWWKESKJRHQWEF-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 4-Methyl-1-octanol
- IUPAC
- 4-methyloctan-1-ol
- English name
- 4-methyloctan-1-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.2545
Names & synonyms
4-Methyloctan-1-ol38514-03-34-Methyl-1-octanolDTXSID50959372RefChem:1071062DTXCID301387252253-976-7EINECS 253-976-74-methyloctanolhexane-2-propanolstarbld0034292SCHEMBL380951
Show more names
SCHEMBL978822SCHEMBL1856668CHEBI:178398LMFA05000129NS00058093
Database identifiers
- CAS
38514-03-3- PubChem CID
- 3015987
- DTXSID
DTXSID50959372- ChEBI
CHEBI:178398- EC Number
- 253-976-7
- Nikkaji
- J294.683A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 61
Physicochemical properties
- Melting point
- 6.15 °C · 6.15°C (estimate)
- Boiling point
- 192.9 °C · 192.9°C (estimate)
- Density
- 0.822 · 0.8220
- refractive index
- 1.4331 · 1.4331
- solubility
- Chloroform, Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Henry's Law Constant
- 4.8 · 4.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Applications
Uses4-Methyl-1-octanol is an intermediate in the synthesis of 1,2-Cyclohexanedicarboxylic Acid Mono 4-Methyloctan-1-ol Ester which is a possible metabolite of the di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH) monoester (MINCH).
Suppliers3 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 4-Methyloctan-1-ol is an aliphatic alcohol.
Related reactions
2 records
Compound notes
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