Completing data — usually done within a minute
Basic information
- CAS
565-67-3- Standard SMILES
CCC(O)C(C)C- InChIKey
ISTJMQSHILQAEC-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.177 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- 2-Methylpentan-3-ol
- IUPAC
- 2-Methylpentan-3-ol
- English name
- 2-Methyl-3-pentanol
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
2-methyl-3-pentano2-Methylpentan-3-ol3-Pentanol, 2-methyl-3-Hydroxy-isohexane4-Methyl-3-pentanol1-isopropyl-propano2-METHYL-3-PENTANOL1-isopropyl-propanol2-methyl-pentan-3-olPropanol, 1-isopropyl-
Database identifiers
- CAS
565-67-3- PubChem CID
- 11264
- DTXSID
DTXSID70870616- UNII
- PVA5FLE5K2
- EC Number
- 209-286-3
- Nikkaji
- J49.948J
Properties
Physicochemical properties
- Melting point
- -48.42 °C · -48.42°C (estimate)
- Boiling point
- 128 °C · 128 °C(lit.)
- Density
- 0.819 g/mL · 0.819 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 115 °F · 115 °F
- form
- liquid
- pka
- 15.17 · 15.17±0.20(Predicted)
- Water Solubility
- Amalgamate with ethanol, ethyl ether, benzene. Insoluble in water
- BRN
- 1718952 · 1718952
- Henry's Law Constant
- 2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
- InChI
- 1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3
- InChIKey
- ISTJMQSHILQAEC-UHFFFAOYSA-N
- SMILES
- CCC(O)C(C)C
- LogP
- 1.546 · 1.546 (est)
- CAS DataBase Reference
- 565 · 565-67-3(CAS DataBase Reference)
- FDA UNII
- 5 FLE5K2 · PVA5FLE5K2
- EPA Substance Registry System
- 2 · 2-Methyl-3-pentanol (565-67-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Risk Statements
- 10 · 10
- Safety Statements
- 23 · 23-24/25
- RIDADR
- 1987 · UN 1987 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 7400000 · SA7400000
- HazardClass
- 3 · 3
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- SA7400000
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 23-24/25
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses2-Methyl-3-pentanol (Ethyl isopropyl carbinol) was used as a volatile marker.
General Description2-Methyl-3-pentanol (Ethyl isopropyl carbinol) was detected by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-ToFMS).
Upstream & downstream products
Downstream products
Suppliers30 total
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Related reactions
5 records
Compound notes
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