Basic information
- CAS
1039646-91-7- Standard SMILES
Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1- InChIKey
CMIBUZBMZCBCAT-UHFFFAOYSA-N- Molecular formula
- C20H18O8
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.10016754
Overview
See also: (-)-Di-p-toluoyl-L-tartaric acid (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- [R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid
- IUPAC
- 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
- English name
- D/L-Di-p-toluoyl-tartaricacid
- Molecular formula
- C20H18O8
- Molecular weight
- 386.35212
Names & synonyms
(R(R*,R*))-2,3-Bis((4-methylbenzoyl)oxy)succinic acid[R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acidRefChem:406937251-131-7di-p-Toluoyl-L-tartaric acid1039646-91-72,3-BIS(4-METHYLBENZOYLOXY)BUTANEDIOIC ACID2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid(2R,3R)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid104695-67-2Citalopram Impurity 252,3-bis(4-methylphenylcarbonyloxy)butanedioic acid
Show more names
Tofacitinib Impurity 165D/L-Di-p-toluoyl-tartaricacid
Butanedioic acid, 2,3-bis((4-methylbenzoyl)oxy)-, (R-(R*,R*))-Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [R-(R*,R*)]-217968-14-4SCHEMBL57818MLS001359842(+)-O,O inverted exclamation mark -Di-p-toluoyl-D-tartaric AcidCHEMBL1885843DTXSID90909134
Database identifiers
- CAS
1039646-91-7、104695-67-2、32634-66-5- PubChem CID
- 97036
- DTXSID
DTXSID90909134- ChEMBL
CHEMBL1885843- EC Number
- 251-131-7
- Nikkaji
- J1.044.701A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
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
This chemical does not meet GHS hazard criteria for 25% (6 of 24) of reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18038
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
Chemistry & industry
Suppliers3 total
济南百隆化学有限公司[email protected] · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
3 records
Compound notes
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