Isobutyl Hydrogen Phthalate

Modify Date: 2024-01-03 19:09:20

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.

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

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.

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

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

HS Code	2918990090

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, ...

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%

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

Isobutyl Hydrogen Phthalate

Use of Isobutyl Hydrogen Phthalate

Names

Isobutyl Hydrogen Phthalate Biological Activity

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Precursor & DownStream

Customs

Synonyms