Decanoic acid, 2-methyl- 分子结构式
HCID91167

Decanoic acid, 2-methyl-

2-methyldecanoic acid

C11H22O2186.29 g/molCAS 137765-21-0

IDENTITY

结构与身份

标准SMILES
CCCCCCCCC(C)C(=O)O
InChIKey
SAOSCTYRONNFTC-UHFFFAOYSA-N
分子式
C11H22O2
平均分子量
186.29 g/mol
单同位素质量
186.16197994

COMPUTED

结构计算性质

已同步
XLogP
4.5
极性表面积
37.3 Ų
氢键供体
1
氢键受体
2
可旋转键
8
重原子
13
形式电荷
0
复杂度
132

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%);Aquatic Chronic 3 (100%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Decanoic acid, 2-methyl-: INACTIVE

ALIASES

名称与别名

共 31 条
24323-23-7Decanoic acid, 2-methyl-EINECS 246-163-3DTXSID40884902RefChem:585481DTXCID408762662-Methyldecanoic acid2-methyl decanoic acid2-METHYLDECANOICACID2-methyl-decanoic acidMFCD00060857137765-21-0(+)-2-metyl decanoic acid(+)-2-methyl decanoic acidSCHEMBL276738SCHEMBL276739orb1986156SCHEMBL8145657SCHEMBL27701733DTXSID90275881

REACTIONS

参与反应

8
HRID 637277 反应方程式

uspto-grants-1985_12 · 10.6084/m9.figshare.5104873.v1 · US04556495

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HRID 799589 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 818743 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 846548 反应方程式

uspto-grants-1992_08 · 10.6084/m9.figshare.5104873.v1 · US05137653

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HRID 846549 反应方程式

uspto-grants-1992_08 · 10.6084/m9.figshare.5104873.v1 · US05137653

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HRID 1109272 反应方程式

uspto-grants-1994_06 · 10.6084/m9.figshare.5104873.v1 · US05319133

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HRID 1109273 反应方程式

uspto-grants-1994_06 · 10.6084/m9.figshare.5104873.v1 · US05319133

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HRID 2321841 反应方程式

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

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