Basic information
- CAS
35438-82-5- Standard SMILES
CC1C=CCC2C(=O)OC(=O)C12- InChIKey
XPEKVUUBSDFMDR-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
- IUPAC
- 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- English name
- 4-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
- Molecular formula
- C9H10O3
- Molecular weight
- 0
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
35438-82-5、5333-84-6- PubChem CID
- 95332
- DTXSID
DTXSID6058710- EC Number
- 226-247-6
- Nikkaji
- J169.053A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 267
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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)
Hazard information
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
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing Information1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-: ACTIVE
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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