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136816

Sigma-Aldrich

2-Methyl-3-buten-2-ol

98%

Sinônimo(s):

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

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About This Item

Fórmula linear:
CH2=CHC(CH3)2OH
Número CAS:
115-18-4
Peso molecular:
86.13
Beilstein:
1698263
Número CE:
204-068-4
Número MDL:
MFCD00004470
Código UNSPSC:
12352100
ID de substância PubChem:
24848295
NACRES:
NA.22

pressão de vapor

51 mmHg ( 25 °C)

Nível de qualidade

200

Ensaio

98%

Formulário

liquid

índice de refração

n20/D 1.416 (lit.)

p.e.

98-99 °C (lit.)

densidade

0.824 g/mL at 25 °C (lit.)

grupo funcional

hydroxyl

temperatura de armazenamento

2-8°C

cadeia de caracteres SMILES

CC(C)(O)C=C

InChI

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

chave InChI

HNVRRHSXBLFLIG-UHFFFAOYSA-N

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Descrição geral

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.

Aplicação

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.

Pictogramas

FlameExclamation mark
GHS02,GHS07

Palavra indicadora

Danger

Frases de perigo

H225,H302,H315,H319

Classificações de perigo

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

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 1

Ponto de fulgor (°F)

51.8 °F - closed cup

Ponto de fulgor (°C)

11 °C - closed cup

Equipamento de proteção individual

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

Escolha uma das versões mais recentes:

Certificados de análise (COA)

Lot/Batch Number
STBL1276
STBK8547
STBK8548
STBK7171
STBK4723

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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
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.
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
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
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