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Safety Information

W503908

Sigma-Aldrich

2-Methyl-3-buten-2-ol

≥98%

Synonym(s):

1,1-Dimethylallyl alcohol, 3-Hydroxy-3-methyl-1-butene

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About This Item

Linear Formula:
CH2=CHC(CH3)2OH
CAS Number:
115-18-4
Molecular Weight:
86.13
Beilstein:
1698263
EC Number:
204-068-4
Council of Europe no.:
4162
MDL number:
MFCD00004470
UNSPSC Code:
12164502
PubChem Substance ID:
24902015
Flavis number:
2.123
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

Kosher

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.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

oily; herbaceous; earthy

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 the predominant oxygenated volatile organic compound (OVOC) produced by the pine species such as ponderosa pine. It makes a significant contribution to the reactive carbon in the atmosphere of forests dominated by pine species.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302,H315,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

51.8 °F - closed cup

Flash Point(C)

11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ2440
STBJ0907
STBH6194
STBH8704
STBH4162

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Canopy fluxes of 2?methyl?3?buten?2?ol over a ponderosa pine forest by relaxed eddy accumulation: Field data and model comparison.
Baker B, et al.
Journal of Geophysical Research: Atmospheres, 104(D21), 26107-26114 (1999)
Emission of 2?methyl?3?buten?2?ol by pines: A potentially large natural source of reactive carbon to the atmosphere.
Harley P, et al.
Journal of Geophysical Research: Atmospheres, 103(D19), 25479-25486 (1998)
Reggie Spaulding et al.
Journal of the American Society for Mass Spectrometry, 13(5), 530-542 (2002-05-22)
In the western United States, in areas where emissions of the biogenic hydrocarbon, 2-methyl-3-buten-2-ol (MBO) are high, MBO contributes significantly to the oxidative capacity of the atmosphere. Hydroxyl radical oxidation of MBO can play an important role in forming tropospheric
Haofei Zhang et al.
Environmental science & technology, 46(17), 9437-9446 (2012-08-02)
2-Methyl-3-buten-2-ol (MBO) is an important biogenic volatile organic compound (BVOC) emitted by pine trees and a potential precursor of atmospheric secondary organic aerosol (SOA) in forested regions. In the present study, hydroxyl radical (OH)-initiated oxidation of MBO was examined in
R Hänsel et al.
Zeitschrift fur Naturforschung. Section C, Biosciences, 35(11-12), 1096-1097 (1980-11-01)
Hops are told to promote sleep; manyfold efforts to detect the soporific principle have been unsuccessful so far. Preliminary pharmacological tests lead to the conclusion that the soporific activity of the exhalation of hops can be explained by its content
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