Basic information
- CAS
4376-19-6- Standard SMILES
CCCOC(=O)c1ccccc1C(=O)O- InChIKey
NFOQRIXSEYVCJP-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Monopropyl Phthalate
- IUPAC
- 2-propoxycarbonylbenzoic acid
- English name
- MONOPROPYLPHTHALATE
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
Monopropyl Phthalate4376-19-62-(propoxycarbonyl)benzoic acidMono-n-propyl phthalate1,2-Benzenedicarboxylic acid, monopropyl esterIE84CC2VVONSC 309966Phthalic acid, monopropyl esterPropyl hydrogen phthalateUNII-IE84CC2VVONSC-3099661,2-Benzenedicarboxylic acid, 1-propyl ester
Show more names
Phthalic Acid Propyl EsterPhthalic Acid Monopropyl Ester1,2-Benzenedicarboxylic Acid 1-Propyl Ester1,2-Benzenedicarboxylic Acid Monopropyl Ester
DTXSID60195926PHTHALIC ACID, PROPYL ESTERRefChem:159610DTXCID00118417NFOQRIXSEYVCJP-UHFFFAOYSA-N2-propoxycarbonylbenzoic acidMONOPROPYLPHTHALATEPhthalsaureathylmethylester
Database identifiers
- CAS
4376-19-6- PubChem CID
- 100503
- DTXSID
DTXSID60195926- UNII
- IE84CC2VVO
- Nikkaji
- J1.034.929J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 351.2 · 351.2±25.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.38 · 3.38±0.36(Predicted)
- color
- Colourless to Off-White Oil
- FDA UNII
- 84 CC2VVO · IE84CC2VVO
Chemistry & industry
Applications
UsesPhthalate ester metabolite used to study the role of peroxisome proliferator-activated receptor (PPAR) in the mediating effects of phthalates and metabolites in the liver. Studies suggest that it may possess testicular toxicity.
Suppliers12 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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