HCID61207

tert-Butyl Formate

C5H10O2102.13 g/molCAS 762-75-4

查看相关反应子结构检索查找相似结构

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 Å²
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

48 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822505B2

查看

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449467B2

查看

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093406B2

查看

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633186B2

查看

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633186B2

查看

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346805B2

查看

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346805B2

查看

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346805B2

查看