2-Amino-5-methylphenol 分子结构式
HCID76082

2-Amino-5-methylphenol

C7H9NO123.15 g/molCAS 2835-98-5

IDENTITY

结构与身份

标准SMILES
Cc1ccc(N)c(O)c1
InChIKey
HCPJEHJGFKWRFM-UHFFFAOYSA-N
分子式
C7H9NO
平均分子量
123.15 g/mol
单同位素质量
123.06841391

COMPUTED

结构计算性质

已同步
XLogP
1.2
极性表面积
46.3 Ų
氢键供体
2
氢键受体
2
可旋转键
0
重原子
9
形式电荷
0
复杂度
94

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1634

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (62.4%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (89.9%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (42.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (89.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (89%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 14 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
Regulatory Information

Chemical: Phenol, 2-amino-5-methyl-

Phenol, 2-amino-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information

IMAP assessments - Phenol, 2-amino-5-methyl-: Human health tier II assessment

Hazard Classes and Categories

Acute Tox. 4 (62.4%);Skin Irrit. 2 (89.9%);Skin Sens. 1 (42.2%);Eye Irrit. 2A (89.9%);STOT SE 3 (89%)

Acute toxicity (ingestion) - category 4;Germ cell mutagenicity - category 2;Skin sensitisation - category 1A

TOXICITY

毒理信息

来源:PubChem
Toxicity Summary

The Expert Panel for Cosmetic Ingredient Safety concluded that the available data are insufficient to make a determination of safety for 6-Amino-m-Cresol under the intended conditions of use as a hair dye ingredient.

The available data are insufficient to support safety

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Phenol, 2-amino-5-methyl-

Phenol, 2-amino-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
Uses

CIR ingredient: 6-Amino-m-Cresol

Use Classification

Cosmetics -> Hair dyeing

ALIASES

名称与别名

共 64 条
2-Amino-5-methylphenol6-Amino-m-cresol2835-98-52-Hydroxy-4-methylanilinePhenol, 2-amino-5-methyl-4-Amino-3-hydroxytolueneQCG4ES2A26NSC-322874DTXSID20182594RefChem:85284DTXCID60105085220-620-7Cetilistat Impurity 46-Amino-3-methylphenol6-AMINO-3-CRESOLMFCD000076935-methyl-2-aminophenolEINECS 220-620-7UNII-QCG4ES2A26NSC 322874

REACTIONS

参与反应

80
HRID 9578 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091228B2

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HRID 11735 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098278B2

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HRID 30893 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423156B2

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HRID 74210 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829035B2

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HRID 92509 反应方程式

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

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HRID 114504 反应方程式

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

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HRID 121782 反应方程式

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

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HRID 126629 反应方程式

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

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