2,2,3,3-Tetramethylcyclopropanecarboxylic acid 分子结构式
HCID152115

2,2,3,3-Tetramethylcyclopropanecarboxylic acid

2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

C8H14O2142.2 g/molCAS 15641-58-4

IDENTITY

结构与身份

标准SMILES
CC1(C)C(C(=O)O)C1(C)C
InChIKey
SFHVXKNMCGSLAR-UHFFFAOYSA-N
分子式
C8H14O2
平均分子量
142.2 g/mol
单同位素质量
142.09937969

COMPUTED

结构计算性质

已同步
XLogP
1.9
极性表面积
37.3 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
10
形式电荷
0
复杂度
166

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.6%)

ALIASES

名称与别名

共 33 条
2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4CHEBI:39355DTXSID30166082RefChem:80829DTXCID2088573tetramethylcyclopropane-1-carboxylic acid2,2,3,3-tetramethylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-MFCD000115382,2,3,3-Tetramethylcyclopropane-1-carboxylic Acid; 2,2,3,3-Tetramethylcyclopropylcarboxylic Acid2,2,3,3-TetramethylcyclopropanecarboxylicacidSCHEMBL221717SBB053469AKOS005073492AC-4440MS-5005MSK168667-100MBP-12722SY003993

REACTIONS

参与反应

232
HRID 78394 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 78407 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 78410 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 78417 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 78421 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 78424 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 78425 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 112030 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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