1,2-Bis(2-oxiranylmethyl) 1,2-benzenedicarboxylate

HCID 62629

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Basic information

CAS: 7195-45-1
Standard SMILES: O=C(OCC1CO1)c1ccccc1C(=O)OCC1CO1
InChIKey: JRPRCOLKIYRSNH-UHFFFAOYSA-N
Molecular formula: C14H14O6
Average molar mass: 278.26 g/mol
Monoisotopic mass: 278.07903816

Names & identifiers

Preferred name: 1,2-Bis(2-oxiranylmethyl) 1,2-benzenedicarboxylate
IUPAC: bis(oxiran-2-ylmethyl) benzene-1,2-dicarboxylate
English name: bis(2,3-epoxypropyl) phthalate
Molecular formula: C14H14O6
Molecular weight: 278.25736

Names & synonyms

7195-45-11,2-DIGLYCIDYL PHTHALATEDTXSID109582651,2-Bis(2-oxiranylmethyl) 1,2-benzenedicarboxylateRefChem:411348DTXCID101386177230-566-6Diglycidyl phthalatebis(oxiran-2-ylmethyl) benzene-1,2-dicarboxylate1,2-Benzenedicarboxylic acid, bis(oxiranylmethyl) esterBis(oxiran-2-ylmethyl) phthalateBis(2,3-epoxypropyl) phthalate

Show more names

Ak-838DIGLYCIDYLESTEROFPHTHALICACIDPhthalic acid diglycidyl estero-Phthalic acid diglycidyl ester

Phthalic acid, diglycidyl esterDiglycidyl ester of phthalic acidEINECS 230-566-6BRN 1256529Diglycidylester kyseliny ftalove [Czech]bis(2,3-epoxypropyl)phthalateDiglycidylester kyseliny ftalovediglycidyl orthophthalate

Database identifiers

CAS: 7195-45-1
PubChem CID: 62629
DTXSID: DTXSID10958265
EC Number: 230-566-6
Nikkaji: J15.013D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 77.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 346

Physicochemical properties

Boiling point: 341.08 °C · 341.08°C (rough estimate)
Density: 1.2373 · 1.2373 (rough estimate)
vapor pressure: 0.004 Pa · 0.004Pa at 25℃
refractive index: 1.458 · 1.4580 (estimate)
EPA Substance Registry System: Diglycidyl phthalate (7195-45-1)
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 360 · H360-H319-H302-H341-H350-H317
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H350 (100%): May cause cancer [Danger Carcinogenicity]；H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, 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.

Hazard information

Regulatory InformationStatus: Active Update: 21-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26593

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1A (100%)；Eye Irrit. 2 (100%)；Muta. 2 (100%)；Carc. 1B (100%)；Repr. 1B (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 21-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26593

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS08
Hazard statements: H360-H319-H302-H341-H350-H317
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501