2-Methyl-1-butanol, (+)-
Basic information
- CAS
616-16-0- Standard SMILES
CC[C@@H](C)CO- InChIKey
QPRQEDXDYOZYLA-RXMQYKEDSA-N- Molecular formula
- C5H12O
- Average molar mass
- 88.15 g/mol
- Monoisotopic mass
- 88.088815
Overview
(R)-2-methylbutan-1-ol is a 2-methylbutan-1-ol. It is an enantiomer of a (S)-2-methylbutan-1-ol.
Names & identifiers
- Preferred name
- 2-Methyl-1-butanol, (+)-
- IUPAC
- (2R)-2-methylbutan-1-ol
- English name
- (R)-2-Methylbutanol
- Molecular formula
- C5H12O
- Molecular weight
- 88.15
Names & synonyms
616-16-0(+)-2-Methyl-1-butanol2-Methyl-1-butanol, (+)-(+)-(R)-2-Methyl-1-butanol2-Methyl-1-butanol (+)-form [MI]1O91KQ00JSDTXSID901044400RefChem:474899DTXCID6015266312-METHYL-1-BUTANOL (+)-FORM612-181-9(R)-2-METHYLBUTANOL
Show more names
(R)-(+)-2-Methyl-1-butanol1-Butanol, 2-methyl-, (2R)-(R)-2-Methylbutan-1-ol - [M90987]
(R)-2-methylbutan-1-ol(2R)-2-methylbutan-1-olMFCD00067263(2R)-2-Methyl-1-butanol2R-Methylbutan-1-ol(r)-2-methyl-1-butanolUNII-1O91KQ00JSSCHEMBL178293
Database identifiers
- CAS
616-16-0- PubChem CID
- 637572
- DTXSID
DTXSID901044400- ChEBI
CHEBI:50624- UNII
- 1O91KQ00JS
- EC Number
- 612-181-9
- Nikkaji
- J9.248G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 27.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Boiling point
- 129 °C · 129 °C
- Density
- 0.809 · 0.809
- refractive index
- 1.4037 · 1.4037
- FEMA
- 3998 · 3998 | (+/-)-2-METHYL-1-BUTANOL
- Flash point
- 43 °C · 43 °C
- storage temp.
- Store at room temperature
- pka
- 15.24 · 15.24±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Odor
- 100 % · at 100.00 %. fermented fatty
- Odor Type
- fermented
- LogP
- 1.223 · 1.223 (est)
- FDA UNII
- 1 O91KQ00JS · 1O91KQ00JS
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
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
Danger
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+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- Hazard statements
- H226-H332-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: (R)-2-methylbutan-1-ol is a 2-methylbutan-1-ol. It is an enantiomer of a (S)-2-methylbutan-1-ol.
Suppliers
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Compound notes
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