Introduction：Basic information about CAS 30833-53-5|Isobutyl Hydrogen Phthalate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isobutyl Hydrogen Phthalate |
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| CAS Number | 30833-53-5 | Molecular Weight | 222.237 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 356.6±25.0 °C at 760 mmHg |
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| Molecular Formula | C12H14O4 | Melting Point | / |
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| MSDS | / | Flash Point | 135.0±16.7 °C |
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Names
| Name | 2-(2-methylpropoxycarbonyl)benzoic acid |
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| Synonym | More Synonyms |
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Isobutyl Hydrogen Phthalate BiologicalActivity
| Description | Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium. |
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| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Others |
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| Target | Human Endogenous Metabolite |
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| In Vitro | Monoisobutyl phthalic acid (Monoisobutyl phthalate) is a phthalate metabolite that is in human semen and in meconium[1]. |
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| References | [1]. Kato K, et al. Quantifying phthalate metabolites in human meconium and semen using automated off-line solid-phase extraction coupled with on-line SPE and isotope-dilution high-performance liquid chromatography--tandem mass spectrometry. Anal Chem. 2006 Sep 15;78(18):6651-5. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 356.6±25.0 °C at 760 mmHg |
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| Molecular Formula | C12H14O4 |
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| Molecular Weight | 222.237 |
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| Flash Point | 135.0±16.7 °C |
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| Exact Mass | 222.089203 |
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| PSA | 63.60000 |
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| LogP | 2.54 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.532 |
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| InChIKey | RZJSUWQGFCHNFS-UHFFFAOYSA-N |
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| SMILES | CC(C)COC(=O)c1ccccc1C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TI2550000
- CHEMICAL NAME :
- Phthalic acid, monoisobutyl ester
- CAS REGISTRY NUMBER :
- 30833-53-5
- BEILSTEIN REFERENCE NO. :
- 3280781
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H14-O4
- MOLECULAR WEIGHT :
- 222.26
- WISWESSER LINE NOTATION :
- QVR BVO1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 8400 mg/kg/1W-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Metabolism (Intermediary) - lipids including transport
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 14,79,1982 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 9200 mg/kg
- SEX/DURATION :
- male 7 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 15,197,1980
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 3200 mg/kg
- SEX/DURATION :
- male 4 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 45,77,1982
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 16800 mg/kg
- SEX/DURATION :
- male 7 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 6,239,1980
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Safety Information
Customs
| HS Code | 2918990090 |
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| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 2-(Isobutoxycarbonyl)benzoic acid |
| 2-[(2-methylpropoxy)carbonyl]benzoic acid |
| MIBP |
| isobutyl phthalate |
| 1,2-Benzenedicarboxylic acid, mono(2-methylpropyl) ester |
| Phthalsaeure-monoisobutylester |
| EINECS 250-352-6 |
| phtalic acid mono-iso-butyl ester |
| Mono-iso-butyl phthalate |
| Monoisobutyl phthalate |
| Phthalic acid,monoisobutyl ester |
| Monoisobutyl phthalic acid |
| Isobutyl hydrogen phthalate |
