Dimethyl 4-hydroxyphthalate

HCID 89726

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Basic information

CAS: 22479-95-4
Standard SMILES: COC(=O)c1ccc(O)cc1C(=O)OC
InChIKey: JJXVDRYFBGDXOU-UHFFFAOYSA-N
Molecular formula: C10H10O5
Average molar mass: 210.18 g/mol
Monoisotopic mass: 210.05282342

Names & identifiers

Preferred name: Dimethyl 4-hydroxyphthalate
IUPAC: dimethyl 4-hydroxybenzene-1,2-dicarboxylate
English name: Dimethyl 4-hydroxyphthalate
Molecular formula: C10H10O5
Molecular weight: 210.18

Names & synonyms

Dimethyl 4-hydroxyphthalate22479-95-44-Hydroxyphthalic acid dimethyl esterR8KP9I1QJ91,2-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl esterEINECS 245-023-9DTXSID20177006DIMETHYL 4-HYDROXY-1,2-BENZENEDICARBOXYLATERefChem:588210DTXCID0099497245-023-9dimethyl 4-hydroxybenzene-1,2-dicarboxylate

Show more names

4-hydroxybenzene-1,2-dicarboxylatedimethyl 4-hydroxybenzene-1,2-dioate4-hydroxybenzene-1,2-dicarboxylic acid dimethyl ester1,2-Benzenedicarboxylic acid, 4-hydroxy-, 1,2-dimethyl ester

MFCD00060092dimethyl4-hydroxyphthalate4-hydroxy-phthalic acid dimethyl esterUNII-R8KP9I1QJ91,2-dimethyl 4-hydroxybenzene-1,2-dicarboxylateDimethyl 4-hydroxyphthalate #SCHEMBL158999CHEMBL2281544

Database identifiers

CAS: 22479-95-4
PubChem CID: 89726
DTXSID: DTXSID20177006
ChEMBL: CHEMBL2281544
UNII: R8KP9I1QJ9
EC Number: 245-023-9
Nikkaji: J42.301G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 250

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 110 · 110-111℃
Boiling point: 330.6 · 330.6±22.0℃ (760 Torr)
Density: 1.284 · 1.284±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 129.3 · 129.3±15.8℃
storage temp.: Sealed in dry,Room Temperature
pka: 7.54 · 7.54±0.18(Predicted)
Appearance: Off-white to light yellow Solid
FDA UNII: 8 KP9I1QJ9 · R8KP9I1QJ9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P