(-)-2-Butanol (HCID 84682)

Overview

(2R)-butan-2-ol is a butan-2-ol. It is an enantiomer of a (2S)-butan-2-ol.

Names & identifiers

Preferred name: (-)-2-Butanol
IUPAC: (2R)-butan-2-ol
English name: R-(-)-2-Butanol
Molecular formula: C4H10O
Molecular weight: 74.12

Names & synonyms

(R)-(-)-2-Butanol14898-79-4(R)-2-Butanol(R)-Butan-2-ol(-)-2-Butanol(2R)-2-Butanol2-Butanol, (-)-DLH38K423JDTXSID30904709RefChem:467344DTXCID001333818238-967-8

Show more names

l-2-ButanolR-(-)-SEC-BUTANOL(R)-2-HYDROXYBUTANE

(2R)-butan-2-olR-(-)-2-Butanol2-Butanol, (2R)-2-Butanol, (2R)- (9CI)(R)-(-)-sec-butyl alcoholMFCD00064280(r)-(-)-sec-butanol2-Butanol, (R)-

Database identifiers

CAS: 14898-79-4
PubChem CID: 84682
DTXSID: DTXSID30904709
ChEBI: CHEBI:35686
UNII: DLH38K423J
EC Number: 238-967-8
Nikkaji: J9.277K

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 19.6

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -114 °C · -114 °C
alpha: -13 · -13 º (neat)
Boiling point: 97 · 97-100 °C (lit.)
Density: 0.807 g/mL · 0.807 g/mL at 20 °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)
Specific Gravity: 0.81 · 0.81
color: Clear colorless
Odor: 100 % · at 100.00 %. oily wine
Odor Type: oily
optical activity: 20 · [α]20/D 13°, neat
explosive limit: 9.8 % · 9.8%
Water Solubility: 125 g/L · 125 g/L (20 ºC)
Merck: 14 · 14,1541
BRN: 1718764 · 1718764
InChI: 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKey: BTANRVKWQNVYAZ-SCSAIBSYSA-N
SMILES: CC[C@@H](C)O
LogP: 0.683 · 0.683 (est)
CAS DataBase Reference: 14898 · 14898-79-4(CAS DataBase Reference)
FDA UNII: 38 K423J · DLH38K423J
NIST Chemistry Reference: 2 · 2-Butanol, (R)-(14898-79-4)
UNSPSC Code: 12352001 · 12352001
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H319-H335-H336
Precautionary statements: 210 · P210-P233-P240-P241-P242-P305+P351+P338
target organs: Central nervous system, Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37-67
Safety Statements: 9 · 9-13-24/25-26-46-7/9-36
RIDADR: 1120 · UN 1120 3/PG 3
OEB: A
OEL: 100 ppm; · TWA: 100.0 ppm; 305.0 mg/m3, STEL: 150.0 ppm; 455.0 mg/m3
WGK Germany: 3 · 3
Autoignition Temperature: 761 °F · 761 °F
TSCA: Yes
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29051420 · 29051420
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

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 (99.3%): 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, (2R)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3 items

Flam. Liq. 3 (99.3%)

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: 3
tsca: Yes
ridadr: UN 1120 3/PG 3
hs_code: 29051420
risk_code: 10-36/37-67
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 9-13-24/25-26-46-7/9-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Central nervous system, Respiratory system
Hazard statements: H225-H319-H335-H336
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2STOT SE 3
Autoignition Temperature: 761 °F
Precautionary statements: P210-P233-P240-P241-P242-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses(R)-()-2-Butanol can be used as a reagent in the synthesis of: 1-[(S)-2-butyl]-3,5 diphenyl-1H-1,2,4 triazole from 3,5 diphenyl-1H-1,2,4 triazole by Mitsunobu reaction. 2-butyl tosylate building block by reacting with toluenesulfonyl chloride.