3-Ethyl-2-methyl-3-pentanol
Basic information
- CAS
597-05-7- Standard SMILES
CCC(O)(CC)C(C)C- InChIKey
DMHIJUVUPKCGLJ-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 3-Ethyl-2-methyl-3-pentanol
- IUPAC
- 3-ethyl-2-methylpentan-3-ol
- English name
- 3-Ethyl-2-methyl-3-pentanol
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
3-Ethyl-2-methyl-3-pentanol597-05-73-Pentanol, 3-ethyl-2-methyl-DTXSID60208404NSC 900RefChem:501327DTXCID40130895679-984-43-ethyl-2-methylpentan-3-ol2-Methyl-3-ethyl-3-pentanolMFCD00046589Diethylisopropylcarbinol
Show more names
ethylmethylpentanol3-ETHYL-2-METHYLPENTAN-3-OL 98%1,1-Diethylisobutyl Alcohol Diethylisopropylcarbinol
D94JTA6R5ENSC-900NSC900UNII-D94JTA6R5E1,1-Diethylisobutyl AlcoholSCHEMBL506048SCHEMBL1377581SCHEMBL1378550
Database identifiers
- CAS
597-05-7- PubChem CID
- 136390
- DTXSID
DTXSID60208404- UNII
- D94JTA6R5E
- EC Number
- 679-984-4
- Nikkaji
- J96.517K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -61.15 °C · -61.15°C (estimate)
- Boiling point
- 59 °C · 59 °C / 18mmHg
- Density
- 0.85 · 0.85
- refractive index
- 1.437 · 1.4370-1.4390
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 7.5 · 7.5×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 94 JTA6R5E · D94JTA6R5E
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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, P280, P303+P361+P353, P370+P378, P403+P235, 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
- ridadr
- 1987
- hs_code
- 2905190098
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Suppliers
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Related reactions
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Compound notes
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