Basic information
- CAS
16501-01-2- Standard SMILES
COCCOC(=O)c1ccccc1C(=O)O- InChIKey
NGFWAKGWMSOVMP-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Overview
metabolite of dimethoxyethyl phthalate
Names & identifiers
- Preferred name
- 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate
- IUPAC
- 2-(2-methoxyethoxycarbonyl)benzoic acid
- English name
- mono(2-methoxyethyl) phthalate
- Molecular formula
- C11H12O5
- Molecular weight
- 224.21
Names & synonyms
16501-01-2Mono(2-methoxyethyl) phthalate1,2-Benzenedicarboxylic acid, 1-(2-methoxyethyl) esterDTXSID90884912Phthalic acid mono(2-methoxyethyl) esterRefChem:819225DTXCID3010243311-(2-Methoxyethyl) 1,2-benzenedicarboxylateMethoxyethyl phthalateUSAF KE-32-(2-methoxyethoxycarbonyl)benzoic acid2-((2-Methoxyethoxy)carbonyl)benzoic acid
Show more names
NGFWAKGWMSOVMP-UHFFFAOYSA-NPhthalic acid hydrogen 2-(2-methoxyethyl) esterPhthalic acid hydrogen 1-(2-methoxyethyl) ester
Phthalic acid, methoxyethyl ester1,2-Benzenedicarboxylicacid, 1-(2-methoxyethyl) ester2-[(2-methoxyethoxy)carbonyl]benzoic acid1,2-Benzenedicarboxylic acid, mono(2-methoxyethyl) esterMonomethoxyethyl phthalatePhthalic acid, monomethoxyethyl esterBRN 3293107Mono-2-methoxyethyl phthalate
Database identifiers
- CAS
16501-01-2- PubChem CID
- 85462
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 282 °C · 282°C (estimate)
- Density
- 1.1478 · 1.1478 (rough estimate)
- refractive index
- 1.472 · 1.4720 (estimate)
- pka
- 3.35 · 3.35±0.36(Predicted)
- EPA Substance Registry System
- Mono(2-methoxyethyl) phthalate (16501-01-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1-(2-methoxyethyl) ester: INACTIVE
Suppliers4 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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