(2R)-but-3-yn-2-ol 分子结构式
HCID638102

(2R)-but-3-yn-2-ol

C4H6O70.09 g/molCAS 42969-65-3

IDENTITY

结构与身份

标准SMILES
C#C[C@@H](C)O
InChIKey
GKPOMITUDGXOSB-SCSAIBSYSA-N
分子式
C4H6O
平均分子量
70.09 g/mol
单同位素质量
70.04186481

COMPUTED

结构计算性质

已同步
XLogP
0.1
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
5
形式电荷
0
复杂度
57

GHS

GHS分类

GHS Classification

Danger

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids];H300 (89.1%): Fatal if swallowed [Danger Acute toxicity, oral];H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (82.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (91.3%): Fatal if inhaled [Danger Acute toxicity, inhalation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H351 (82.6%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Hazard Classes and Categories

Flam. Liq. 3 (97.8%);Acute Tox. 2 (89.1%);Acute Tox. 3 (10.9%);Skin Irrit. 2 (100%);Skin Sens. 1 (82.6%);Eye Dam. 1 (84.8%);Eye Irrit. 2 (15.2%);Acute Tox. 2 (91.3%);STOT SE 3 (95.7%);Carc. 2 (82.6%)

ALIASES

名称与别名

共 27 条
(2R)-but-3-yn-2-ol3-Butyn-2-ol, (2R)-RefChem:397412610-091-4(R)-(+)-3-Butyn-2-ol42969-65-3(R)-but-3-yn-2-ol(R)-3-butyn-2-olMFCD00211237(2R)-3-butyn-2-ol(+)-3-butyn-2-olDTXSID70274155BCP15480(r)-(+)-alpha-methylpropargyl alcohol(R)-(+)-3-Butyn-2-ol, 98%PS-17837BB 0261027CS-0094046(R)-but-3-yn-2-oSCHEMBL466800

REACTIONS

相关反应

15
HRID 217114 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193182B2

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HRID 366700 反应方程式

uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06130239

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HRID 366705 反应方程式

uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06130239

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HRID 380864 反应方程式

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06303793B1

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HRID 380868 反应方程式

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06303793B1

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HRID 712014 反应方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181271B2

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HRID 1060602 反应方程式

uspto-grants-2003_02 · 10.6084/m9.figshare.5104873.v1 · US06525049B2

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HRID 1069721 反应方程式

uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06252086B1

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