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Merck
CN

W503908

Sigma-Aldrich

2-甲基-3-丁烯-2-醇

≥98%

别名:

1,1-二甲基烯丙醇, 3-羟基-3-甲基-1-丁烯

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About This Item

线性分子式:
CH2=CHC(CH3)2OH
CAS号:
分子量:
86.13
Beilstein:
1698263
EC 号:
欧洲委员会编号:
4162
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
2.123
NACRES:
NA.21

生物来源

synthetic

质量水平

等级

Kosher

蒸汽压

51 mmHg ( 25 °C)

方案

≥98%

折射率

n20/D 1.416 (lit.)

沸点

98-99 °C (lit.)

密度

0.824 g/mL at 25 °C (lit.)

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

性状检查

oily; herbaceous; earthy

SMILES字符串

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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一般描述

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.

象形图

FlameExclamation mark

警示用语:

Danger

危险分类

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

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

51.8 °F - closed cup

闪点(°C)

11 °C - closed cup

个人防护装备

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

法规信息

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分析证书(COA)

Lot/Batch Number

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访问文档库

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)
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)
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.
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

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