Basic information
- CAS
4221-99-2- Standard SMILES
CC[C@H](C)O- InChIKey
BTANRVKWQNVYAZ-BYPYZUCNSA-N- Molecular formula
- C4H10O
- Average molar mass
- 74.12 g/mol
- Monoisotopic mass
- 74.07316494
Overview
(2S)-butan-2-ol is a butan-2-ol. It is an enantiomer of a (2R)-butan-2-ol.
Names & identifiers
- Preferred name
- (+)-2-Butanol
- IUPAC
- (2S)-butan-2-ol
- English name
- (S)-(+)-2-Butanol
- Molecular formula
- C4H10O
- Molecular weight
- 74.12
Names & synonyms
(S)-(+)-2-butanol4221-99-2(S)-Butan-2-ol(S)-2-butanol(+)-2-Butanol2-Butanol, (+)-69KXU5NDTORefChem:467343224-168-1(2S)-butan-2-ol(2S)-2-butanol(s)-(+)-sec-butanol
Show more names
d-2-butanol(2S)-Butanol2-Butanol, (S)-2-Butanol, (2S)-(S)-(-)-2-BUTANOL(S)-(+)-2-butylol
(S)-sec-butanolMFCD00064281(S)-(+)-sec-Butyl alcohol(s)-sec-butyl alcohol(5)-(+)-sec-butanolCHEBI:45475BUTYL ALCOHOL D-FORM [MI]AKOS006240738
Database identifiers
- CAS
4221-99-2- PubChem CID
- 444683
- DTXSID
DTXSID301360511- ChEBI
CHEBI:45475- UNII
- 69KXU5NDTO
- EC Number
- 224-168-1
- Nikkaji
- J9.275D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 19.6
Physicochemical properties
- Melting point
- -114 °C · -114 °C
- Boiling point
- 99 · 99-100 °C (lit.)
- alpha
- 13 · 13 º (neat)
- Density
- 0.803 g/mL · 0.803 g/mL at 25 °C (lit.)
- vapor density
- 2.6 · 2.6 (vs air)
- vapor pressure
- 12.5 mm · 12.5 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.397(lit.)
- Flash point
- 80 °F · 80 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- pka
- 15.31 · 15.31±0.20(Predicted)
- color
- Clear colorless
- Odor
- 1 % · at 1.00 % in dipropylene glycol. oily wine
- Odor Type
- oily
- optical activity
- 20 · [α]20/D +13°, neat
- explosive limit
- 9.8 % · 9.8%
Safety & regulation
GHS classification
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Warning
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information2-Butanol, (2S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (99.6%)
Flammable liquid - category 3
Flam. Liq. 3
Safety data
- OEB
- A
- OEL
- TWA: 100.0 ppm; 305.0 mg/m3, STEL: 150.0 ppm; 455.0 mg/m3
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- rtecs
- EO1750000
- ridadr
- UN 1120 3/PG 3
- hs_code
- 29051490
- risk_code
- 10-36/37-67
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Applications
Uses(S)-(+)-2-Butanol can be used:To synthesize chiral asymmetric perylene diimides (PDI) that spontaneously self-assemble into one-handed nanotubes that are photoconductive or fluorescent in nature.To synthesize bulky chiral vinyl monomers that can be radically polymerized to helical polymers with an excess screw sense.As chiral solvent to study excited state photo transfer of the photoacid, 5,8-dicyano-2-naphthol (DCN2) in chiral environment.
Upstream & downstream products
Upstream raw materials
Suppliers92 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
29 records
Compound notes
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