Basic information
- CAS
20194-45-0- Standard SMILES
CC(C)CCCCCCCCCO- InChIKey
NQDZCRSUOVPTII-UHFFFAOYSA-N- Molecular formula
- C12H26O
- Average molar mass
- 186.33 g/mol
- Monoisotopic mass
- 186.19836545
Names & identifiers
- Preferred name
- Isododecanol
- IUPAC
- 10-methylundecan-1-ol
- English name
- 10-Methylundecanol
- Molecular formula
- C12H26O
- Molecular weight
- 186.33
Names & synonyms
Isododecanolisolauryl alcoholIsododecyl alcohol25428-98-2Exxal 1212TQ24JRJLDTXSID30423844RefChem:1087542DTXCID50374682607-725-710-methylundecanol20194-45-0
Show more names
10-methylundecan-1-ol10-Methyl-1-undecanol1-Undecanol, 10-methyl-UNII-12TQ24JRJL10-methyl-undecan-1-ol10-Methyl-1-undecanol;SCHEMBL159946SCHEMBL3093387
Database identifiers
- CAS
20194-45-0、25428-98-2- PubChem CID
- 6428591
- DTXSID
DTXSID30423844- UNII
- 12TQ24JRJL
- EC Number
- 607-725-7
- Nikkaji
- J1.642.298C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 89.1
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 16.85 °C · 16.85°C (estimate)
- Boiling point
- 250.85 °C · 250.85°C (estimate)
- Density
- 0.8429 · 0.8429 (estimate)
- refractive index
- 1.4162 · 1.4162 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- LogP
- 4.759 · 4.759 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses10-Methylundecanol is an intermediate in the synthesis of Sulfobacin A.
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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