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Merck
CN

136816

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848295
EC Number:
204-068-4
Beilstein/REAXYS Number:
1698263
MDL number:
MFCD00004470
Assay:
98%
Form:
liquid

Key Documents

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InChI key

HNVRRHSXBLFLIG-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)(O)C=C

vapor pressure

51 mmHg ( 25 °C)

assay

98%

form

liquid

refractive index

n20/D 1.416 (lit.)

bp

98-99 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

functional group

hydroxyl

storage temp.

2-8°C

Quality Level

200

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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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB7623
SDBB0733
STBL1276
STBK9653
STBK9652

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Chemical and Engineering News, 57, 10-10 (1979)
Ernesto C Tuazon et al.
Physical chemistry chemical physics : PCCP, 7(11), 2298-2304 (2005-06-07)
Kinetics and products of the gas-phase reaction of OH radicals with 3-methyl-2-butenal [(CH3)2C=CHCHO] have been investigated at room temperature and atmospheric pressure of air. Using a relative rate method with methacrolein as the reference compound, a rate constant for the
Dennis W Gray et al.
The Journal of biological chemistry, 286(23), 20582-20590 (2011-04-21)
2-Methyl-3-buten-2-ol (MBO) is a five-carbon alcohol produced and emitted in large quantities by many species of pine native to western North America. MBO is structurally and biosynthetically related to isoprene and can have an important impact on regional atmospheric chemistry.
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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