2,5-Dimethylterephthalic Acid
Basic information
- CAS
6051-66-7- Standard SMILES
Cc1cc(C(=O)O)c(C)cc1C(=O)O- InChIKey
FKUJGZJNDUGCFU-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 2,5-Dimethylterephthalic Acid
- IUPAC
- 2,5-dimethylterephthalic acid
- English name
- 2,5-Dimethylterephthalic acid
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
2,5-Dimethylterephthalic AcidDTXSID30306082RefChem:444613DTXCID20257211637-418-36051-66-72,5-dimethylbenzene-1,4-dicarboxylic acidMFCD000202922,5-Dimethyl-1,4-benzenedicarboxylic acidss--Cumidic acidNSC17401825-Dimethylterephthalic Acid
Show more names
2,5-Dimethylterephthalicaci2,5-DimethylterephthalicAcid>2,5-dimethyl-1,4-benzenedimacetic acid1,4-Benzenedicarboxylic acid, 2,5-dimethyl-
SCHEMBL70135CBDivE_0028422.5-Dimethylterephthalic acidRARECHEM AL BO 0786FKUJGZJNDUGCFU-UHFFFAOYSA-NCK1085DK7280AKOS004907100
Database identifiers
- CAS
6051-66-7- PubChem CID
- 299989
- DTXSID
DTXSID30306082- EC Number
- 637-418-3
- Nikkaji
- J382.985E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 260 °C · >260°C (dec.)
- Boiling point
- 386.8 · 386.8±30.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Basic Methanol (Slightly), DMSO (Heated)
- pka
- 3.14 · 3.14±0.25(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
- InChIKey
- FKUJGZJNDUGCFU-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=CC(C)=C(C(O)=O)C=C1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2917399590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,5-DIMETHYLTEREPHTHALIC ACID is used as a ligand in the synthesis of MOF materials: Ce-UiO-66-(CH3)2Al-MIL-53-(CH3)2.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…