结构:Cc1cccc(O)c1O
HCID340

3-Methylcatechol

3-methylbenzene-1,2-diol

C7H8O2124.14 g/molCAS 488-17-5

IDENTITY

结构与身份

标准 SMILES
Cc1cccc(O)c1O
InChIKey
PGSWEKYNAOWQDF-UHFFFAOYSA-N
分子式
C7H8O2
平均分子量
124.14 g/mol
单同位素质量
124.05242949

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
40.5 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
92

PROPERTIES

实验与物化性质

来源:PubChem
Boiling Point

241

Melting Point

68

Kovats Retention Index

1263;1268.8;1263.5

2627

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 48 reports by companies from 7 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

1,2-Benzenediol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Acute Tox. 4 (18.8%);Acute Tox. 4 (16.7%);Skin Irrit. 2 (100%);Eye Irrit. 2 (97.9%);Acute Tox. 4 (14.6%);STOT SE 3 (97.9%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

1,2-Benzenediol, 3-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
General Manufacturing Information

1,2-Benzenediol, 3-methyl-: ACTIVE

ALIASES

名称与别名

76
3-methylcatechol3-methylbenzene-1,2-diol488-17-52,3-dihydroxytoluene1,2-Benzenediol, 3-methyl-1,2-Dihydroxy-3-methylbenzene2,3-Toluenediol3-Methyl-1,2-dihydroxybenzene0HUZ4Q9R8CCHEBI:18404NSC-66523RefChem:25867207-672-63-Methylpyrocatechol3-Methyl-1,2-benzenediolDihydroxytoluenePyrocatechol, 3-methyl-Catechol, 3-methyl-3-METHYL-BENZENE-1,2-DIOLMFCD00016435

REACTIONS

参与反应

24
HRID203040

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 203040 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID947803

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 947803 方程式

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

查看条件与参与物