W503908
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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关于此项目
线性分子式:
CH2=CHC(CH3)2OH
化学文摘社编号:
分子量:
86.13
Flavis number:
2.123
PubChem Substance ID:
UNSPSC Code:
12164502
Council of Europe no.:
4162
NACRES:
NA.21
EC Number:
204-068-4
MDL number:
Beilstein/REAXYS Number:
1698263
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
biological source
synthetic
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
Quality Level
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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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2
存储类别
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
法规信息
新产品
此项目有
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)
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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