基本情報
- CAS
35438-82-5- 標準SMILES
CC1C=CCC2C(=O)OC(=O)C12- InChIKey
XPEKVUUBSDFMDR-UHFFFAOYSA-N- 分子式
- C9H10O3
- 平均分子量
- 166.17 g/mol
- 単同位体質量
- 166.06299418
名称と識別子
- 優先名称
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
- IUPAC
- 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- 英語名
- 4-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
- 分子式
- C9H10O3
- 分子量
- 0
名称と別名
1,2,3,6-Tetrahydro-3-methylphthalic anhydride1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-3-Methyl-1,2,3,6-tetrahydrophthalic anhydrideNSC 2352EINECS 226-247-64-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-3-Methyl-delta-4-tetrahydrophthalic anhydrideEC 226-247-6RefChem:415030DTXSID5051941226-247-65333-84-6
名称をさらに表示
4-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride4-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dioneMFCD0001458535438-82-5Methylcyclohexene-1,2-dicarboxylic Anhydridecis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride4-methyl-4,7,3a,7a-tetrahydroisobenzofuran-1,3-dione
データベース識別子
- CAS
35438-82-5、5333-84-6- PubChem CID
- 95332
- DTXSID
DTXSID6058710- EC Number
- 226-247-6
- Nikkaji
- J169.053A
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 267
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
Hazard Traits - Respiratory Toxicity
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1,2,3,6-tetrahydro-3-methylphthalic anhydride (EC: 226-247-6)
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Tetrahydrophthalic anhydrides and analogues: Human health tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (100%)
Eye damage - category 1
Eye Dam. 1
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
General Manufacturing Information1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-: ACTIVE
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