136816

Sigma-Aldrich

2-Methyl-3-buten-2-ol

98%

Synonym(s):
1,1-Dimethylallyl alcohol, 3-Hydroxy-3-methyl-1-butene
Linear Formula:
CH2=CHC(CH3)2OH
CAS Number:
Molecular Weight:
86.13
Beilstein/REAXYS Number:
1698263
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

vapor pressure

51 mmHg ( 25 °C)

assay

98%

refractive index

n20/D 1.416 (lit.)

bp

98-99 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(C)(O)C=C

InChI

1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3

InChI key

HNVRRHSXBLFLIG-UHFFFAOYSA-N

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General description

2-Methyl-3-buten-2-ol is a biogenic volatile organic compound emitted by pine trees and a potential precursor of atmospheric secondary organic aerosol in forested regions. It is an important component of the pheromone of the bark beetle Ips typographus.

Application

2-Methyl-3-buten-2-ol was used to study the kinetics of the gas-phase reaction of OH radicals with 3-methyl-2-butenal.
Reported to be an important component of the pheromone of the bark beetle Ips typographus.

Packaging

1 L in glass bottle
100, 500 mL in glass bottle

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

F,Xn

Risk Statement

11-22-36/38

Safety Statement

16-26

RIDADR

UN 1987BE 3 / PGII

WGK Germany

WGK 1

Flash Point(F)

51.8 °F - closed cup

Flash Point(C)

11 °C - closed cup

Chemical and Engineering News, 57, 10-10 (1979)
Arthur W H Chan et al.
Environmental science & technology, 43(13), 4647-4652 (2009-08-14)
2-Methyl-3-buten-2-ol (MBO) is an important biogenic hydrocarbon emitted in large quantities by pine forests. Atmospheric photooxidation of MBO is known to lead to oxygenated compounds, such as glycolaldehyde, which is the precursor to glyoxal. Recent studies have shown that the...
Ze Liu et al.
Physical chemistry chemical physics : PCCP, 13(6), 2069-2075 (2011-01-05)
Multiphase acid-catalyzed oxidation with hydrogen peroxide (H(2)O(2)) has been suggested recently to be a potential route to SOA formation from isoprene and its gas-phase oxidation products, the kinetics and chemical mechanism of this process have not been well-known yet. In...
Theodore S Dibble et al.
Physical chemistry chemical physics : PCCP, 8(4), 456-463 (2006-02-17)
Quantum mechanical calculations were used to determine the structure and energetics of peroxy radicals (P1 and P2) and alkoxy radicals (A1-A3) formed in the atmospheric degradation of 2-methyl-3-buten-2-ol. At the level of theory employed (B3LYP/6-31G(d,p)) low energy conformers were identified...
D McGinty et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48 Suppl 3, S97-100 (2010-02-10)
A toxicologic and dermatologic review of 2-methyl-3-buten-2-ol when used as a fragrance ingredient is presented.

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