2,4-Dimethyl-1-pentanol
Basic information
- CAS
6305-71-1- Standard SMILES
CC(C)CC(C)CO- InChIKey
OVOVDHYEOQJKMD-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- 2,4-Dimethyl-1-pentanol
- IUPAC
- 2,4-dimethylpentan-1-ol
- English name
- 2,4-DIMETHYL-1-PENTANOL
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
2,4-DIMETHYL-1-PENTANOL2,4-dimethylpentan-1-ol6305-71-11-Pentanol, 2,4-dimethyl-M8SG4FSL86NSC-41179DTXSID508757051-Pentanol, 2,4-dimethyl-, (.+/-.)-RefChem:82492DTXCID3010138251-Pentanol, 2,4-dimethyl-(8CI)1-Pentanol, 2,4-dimethyl-, (+-)-
Show more names
1-Pentanol, 2,4-dimethyl-(8CI)(9CI)837-824-2OVOVDHYEOQJKMD-UHFFFAOYSA-NMFCD00022001NSC 41179AI3-38565UNII-M8SG4FSL862,4-dimethyl-pentan-1-ol
Database identifiers
- CAS
6305-71-1- PubChem CID
- 22749
- DTXSID
DTXSID50875705- UNII
- M8SG4FSL86
- EC Number
- 837-824-2
- Nikkaji
- J888.707A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 50.3
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
LogP2.19
Physicochemical properties
- Melting point
- -30.45 °C · -30.45°C (estimate)
- Boiling point
- 157.85 °C · 157.85°C
- Density
- 0.815 · 0.8150
- refractive index
- 1.425 · 1.4250
- pka
- 15.05 · 15.05±0.10(Predicted)
- Henry's Law Constant
- 9.4 · 9.4×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 8 SG4FSL86 · M8SG4FSL86
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…