uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091228B2
查看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
- 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
Kovats Retention Index
1634
GHS
GHS分类
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
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
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
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
Uses
CIR ingredient: 6-Amino-m-Cresol
Use Classification
Cosmetics -> Hair dyeing
ALIASES
名称与别名
REACTIONS
参与反应
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