HCID543038

tert-Butyl propiolate

tert-butyl prop-2-ynoate

C7H10O2126.15 g/molCAS 13831-03-3

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IDENTITY

结构与身份

标准SMILES: C#CC(=O)OC(C)(C)C
InChIKey: XGTPDIIFEPTULX-UHFFFAOYSA-N
分子式: C7H10O2
平均分子量: 126.15 g/mol
单同位素质量: 126.06807956

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 9
形式电荷: 0
复杂度: 153

GHS

GHS分类

GHS Classification

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+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 49 reports by companies from 7 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

ALIASES

名称与别名

共 29 条

tert-Butyl propiolate13831-03-3DTXSID50337479RefChem:896486DTXCID40288567627-220-5tert-butyl prop-2-ynoatePropiolic acid tert-butyl ester2-Propynoic acid, 1,1-dimethylethyl esterMFCD00060100t-butyl propiolateTERT-BUTYLPROPIOLATEBOC-acetylenePropargylic Acid tert-Butyl Estertert-Butyl Propargylatetert-Butyl propiolate #tert-Butyl propiolate, 98%2-propynoic acid t-butylesterPropynoic acid, t-butyl esterSCHEMBL1060660

REACTIONS