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结构：CC(C)(C)OC=O
HCID61207

tert-Butyl Formate

C5H10O2102.13 g/molCAS 762-75-4
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IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC=O
InChIKey
RUPAXCPQAAOIPB-UHFFFAOYSA-N
分子式
C5H10O2
平均分子量
102.13 g/mol
单同位素质量
102.06807956

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
7
形式电荷
0
复杂度
61

PROPERTIES

实验与物化性质

来源：PubChem
Kovats Retention Index

585；589

GHS

GHS 分类

来源：PubChem
GHS Classification

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Flam. Liq. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Flammable liquid - category 2；Eye irritation - category 2；Specific target organ toxicity (single exposure) - category 3

Flam. Liq. 2；STOT SE 3；Eye Irrit. 2

TOXICITY

毒理信息

来源：PubChem
RAIS Toxicity Values

0.008

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values

tert-Butyl Formate

PDF Document

Inadequate information to assess carcinogenic potential

2017

ALIASES

名称与别名

共 47 条
TERT-BUTYL FORMATE762-75-4Formic acid, 1,1-dimethylethyl estert-Butyl formateDTXSID4024690J5BC8DA85JDTXCID304690RefChem:894660212-105-0Formic acid, tert-butyl esterTERT-BUTYLOXYCARBONYL GROUPFormic acid-tert-butyl esterMFCD00003290Formic acid tert-butyl esterFormate, t-butyl-EINECS 212-105-0tet.-Butyl formateH-BocH-t-Boctertiary butyl formate

REACTIONS

参与反应

47 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂