Basic information
- CAS
22955-73-3- Standard SMILES
COC(=O)c1ccc(OC)c(C(=O)OC)c1- InChIKey
VYLTWLWJTAJDSS-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- Dimethyl 4-methoxyisophthalate
- IUPAC
- dimethyl 4-methoxybenzene-1,3-dicarboxylate
- English name
- Dimethyl 4-methoxyisophthalate
- Molecular formula
- C11H12O5
- Molecular weight
- 224.21
Names & synonyms
Dimethyl 4-methoxyisophthalate22955-73-3EINECS 245-350-7DTXSID20177501RefChem:588211DTXCID0099992245-350-7dimethyl 4-methoxybenzene-1,3-dicarboxylateMFCD062040711,3-dimethyl 4-methoxybenzene-1,3-dicarboxylate1,3-Benzenedicarboxylic acid, 4-methoxy-, 1,3-dimethyl esterAKOS015890620
Show more names
RARECHEM AL BF 11674-methoxy-2,5-dimethylbenzene-1,3-dicarboxylate1,3-Benzenedicarboxylic acid, 4-methoxy-, dimethyl ester
4-Methoxy-1,3-benzenedicarboxylic acid dimethyl ester; 4-Methoxyisophthalic acid dimethyl ester; Dimethyl 4-methoxyisophthalateDimethyl4-methoxyisophthalate4-methoxy-1,3-benzenedicarboxylic acid dimethyl ester4-Methoxyisophthalic acid dimethyl ester1,3-BenzenedicarboxylA816443SCHEMBL5169870SCHEMBL29678875
Database identifiers
- CAS
22955-73-3- PubChem CID
- 89938
- DTXSID
DTXSID20177501- EC Number
- 245-350-7
- Nikkaji
- J318.371H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 93 · 93-97 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Related reactions
2 records
Compound notes
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