Basic information
- CAS
517-60-2- Standard SMILES
O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O- InChIKey
YDSWCNNOKPMOTP-UHFFFAOYSA-N- Molecular formula
- C12H6O12
- Average molar mass
- 342.17 g/mol
- Monoisotopic mass
- 341.98592562
Overview
Mellitic acid is a benzene-derived hexacarboxylic acid in which each carbon of benzene carries a carboxy substituent. It is a conjugate acid of a mellitic acid hexaanion.
Names & identifiers
- Preferred name
- Mellitic Acid
- IUPAC
- benzene-1,2,3,4,5,6-hexacarboxylic acid
- English name
- Mellitic acid
- Molecular formula
- C12H6O12
- Molecular weight
- 342.17
Names & synonyms
MELLITIC ACID517-60-2benzene-1,2,3,4,5,6-hexacarboxylic acidBenzenehexacarboxylic acidMellic acidHexacarboxybenzenebenzene hexacarboxylic acid1,2,3,4,5,6-Benzenehexacarboxylic acidP80QSP14DMDTXSID50199650NSC-229358CHEBI:41089
Show more names
DK7667melliticaciMellitic acid 99%Mellitic Acid >Mellitic acid,99%
RefChem:156403DTXCID10122141208-243-6MFCD000024691bq4NSC 229358MELLITIC ACID [MI]1,3,4,5,6-Benzenehexacarboxylic acid
Database identifiers
- CAS
517-60-2- PubChem CID
- 2334
- DTXSID
DTXSID50199650- ChEMBL
CHEMBL1231329- ChEBI
CHEBI:41089- UNII
- P80QSP14DM
- EC Number
- 208-243-6
- Nikkaji
- J6.578A
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.45
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Dissociation Constants0.8 (at 25 °C)
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 437.66 °C · 437.66°C (rough estimate)
- Density
- 1.8324 · 1.8324 (rough estimate)
- refractive index
- 1.761 · 1.7610 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Completely soluble in water
- form
- powder to crystal
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
H315 (100%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29173990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
UsesMellitic acid is part of a group of benzenepolycarboxylic acids that have potential anti-hemorrhagic properties. Mellitic acid is also used as a motif to investigate possible radial self-assembly using complementary aromatic bases.
Upstream & downstream products
Downstream products
Suppliers75 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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