Basic information
- CAS
2768-12-9- Standard SMILES
CC(C)CCCC(C)CO- InChIKey
RCYIBFNZRWQGNB-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Overview
2,6-dimethylheptan-1-ol is an alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1. It has a role as a Daphnia pulex metabolite. It is a primary alcohol and an alkyl alcohol.
Names & identifiers
- Preferred name
- 2,6-Dimethylheptan-1-ol
- IUPAC
- 2,6-dimethylheptan-1-ol
- English name
- 2,6-dimethylheptan-1-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2,6-Dimethylheptan-1-ol2768-12-9CHEBI:83104DTXSID60286520RefChem:248533DTXCID702376692,6-dimethyl-1-heptanol1-Heptanol, 2,6-dimethyl-NSC463082(RS),6-dimethylheptanolSCHEMBL114059SCHEMBL9771393
Show more names
SCHEMBL12986322RCYIBFNZRWQGNB-UHFFFAOYSA-NMFCD20385922NSC-46308AKOS013993197AS-58366NS00124921A11755
Database identifiers
- CAS
2768-12-9- PubChem CID
- 240232
- DTXSID
DTXSID60286520- ChEBI
CHEBI:83104
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 69.1
Physicochemical properties
- Boiling point
- 82.5 · 82.5-84.0 °C(Press: 8 Torr)
- Density
- 0.822 · 0.822±0.06 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: 2,6-dimethylheptan-1-ol is an alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1. It has a role as a Daphnia pulex metabolite. It is an alkyl alcohol and a primary alcohol.
Related reactions
1 records
Compound notes
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