HCID21616

3,6-Dimethylphthalic anhydride

4,7-dimethyl-2-benzofuran-1,3-dione

C10H8O3176.17 g/molCAS 5463-50-3

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IDENTITY

结构与身份

标准 SMILES: Cc1ccc(C)c2c1C(=O)OC2=O
InChIKey: WEPCDISQBQXOBE-UHFFFAOYSA-N
分子式: C10H8O3
平均分子量: 176.17 g/mol
单同位素质量: 176.04734411

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 233

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 31 条

3,6-Dimethylphthalic anhydrideRefChem:487609621-251-85463-50-34,7-Dimethyl-2-benzofuran-1,3-dione4,7-dimethylisobenzofuran-1,3-dione4,7-dimethyl-1,3-dihydro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 4,7-dimethyl-Phthalic anhydride, 3,6-dimethyl-4,7-DIMETHYL-1,3-ISOBENZOFURANDIONE1,3-Isobenzofurandione,4,7-dimethyl-MFCD00094951NSC16057Phthalic anhydride,6-dimethyl-SCHEMBL1886099SCHEMBL30366428DTXSID90203063FAA46350NSC 16057NSC-16057

REACTIONS