Isobutyl Hydrogen Phthalate

Modify Date: 2026-07-15 09:24:30

Isobutyl Hydrogen Phthalate structure	Common Name	Isobutyl Hydrogen Phthalate
	CAS Number	30833-53-5	Molecular Weight	222.237
	Density	1.2±0.1 g/cm3	Boiling Point	356.6±25.0 °C at 760 mmHg
	Molecular Formula	C₁₂H₁₄O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	135.0±16.7 °C

Use of Isobutyl Hydrogen Phthalate

Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	2-(2-methylpropoxycarbonyl)benzoic acid
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium.
Related Catalog	Natural Products >> Acids and Aldehydes Research Areas >> Others
Target	Human Endogenous Metabolite
In Vitro	Monoisobutyl phthalic acid (Monoisobutyl phthalate) is a phthalate metabolite that is in human semen and in meconium[1].
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.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.2±0.1 g/cm3
Boiling Point	356.6±25.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₄O₄
Molecular Weight	222.237
Flash Point	135.0±16.7 °C
Exact Mass	222.089203
PSA	63.60000
LogP	2.54
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.532
InChIKey	RZJSUWQGFCHNFS-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)c1ccccc1C(=O)O

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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 DATA

ACUTE 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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code	2918990090

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 3
CAS#:85-44-9 Phthalic anhydride CAS#:78-83-1 isobutanol CAS#:84-69-5 Diisobutyl phthalate
DownStream 3
CAS#:31598-85-3 allophanic acid... CAS#:6629-35-2 Cyclohexanemeth... CAS#:543-28-2 Carbamic acid, ...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2918990090
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%

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: CAS number of 2-(2-methylpropoxycarbonyl)benzoic acid is 30833-53-5.

Q: What is the boiling point of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: Boiling point of 2-(2-methylpropoxycarbonyl)benzoic acid is 356.6±25.0 °C at 760 mmHg.

Q: What is the SMILES notation of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: SMILES notation of 2-(2-methylpropoxycarbonyl)benzoic acid is CC(C)COC(=O)c1ccccc1C(=O)O.

Q: What is the molecular weight of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: Molecular weight of 2-(2-methylpropoxycarbonyl)benzoic acid is 222.237.

Q: What is the English name of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: The English name of 2-(2-methylpropoxycarbonyl)benzoic acid is 2-(2-methylpropoxycarbonyl)benzoic acid.

Q: What is the molecular formula of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: Molecular formula of 2-(2-methylpropoxycarbonyl)benzoic acid is C12H14O4.

Q: What is the InChIKey of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: InChIKey of 2-(2-methylpropoxycarbonyl)benzoic acid is RZJSUWQGFCHNFS-UHFFFAOYSA-N.

Q: What are the uses of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: Main uses of 2-(2-methylpropoxycarbonyl)benzoic acid: Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium.

Q: What is the LogP of 2-(2-methylpropoxycarbonyl)benzoic acid?

A: LogP of 2-(2-methylpropoxycarbonyl)benzoic acid is 2.54.

Q: What English synonyms does 2-(2-methylpropoxycarbonyl)benzoic acid have?

A: English synonyms of 2-(2-methylpropoxycarbonyl)benzoic acid: 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.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

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Product Name: MONOISOBUTYL PHTHALATE
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