uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07083705B2
查看IDENTITY
结构与身份
- 标准SMILES
- C=CCCO
- InChIKey
- ZSPTYLOMNJNZNG-UHFFFAOYSA-N
- 分子式
- C4H8O
- 平均分子量
- 72.11 g/mol
- 单同位素质量
- 72.05751487
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 5
- 形式电荷
- 0
- 复杂度
- 24
PROPERTIES
实验与物化性质
Boiling Point
113.50 °C. @ 760.00 mm Hg
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
609;620;640;640;641;663;620;640;640;641;640;641;638;617.8;624.1;629
596;597
1171;1170;1149;1185;1187;1209;1185;1187;1209;1178;1137;1190.1;1180.6
GHS
GHS分类
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (54.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (45.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (44.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (53.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 193 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 3-Buten-2-ol.
Hazard Classes and Categories
Flam. Liq. 3 (100%);Skin Irrit. 2 (99%);Eye Dam. 1 (54.9%);Eye Irrit. 2 (45.1%);STOT SE 3 (44.6%)
REGULATORY
法规信息
Regulatory Information
3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Cellular Locations
Cytoplasm;Extracellular
USES
用途与制造
General Manufacturing Information
3-Buten-1-ol: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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