MONOBENZYL PHTHALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H12O4
Molecular Weight	256.2534
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

InChI

InChIKey=XIKIUQUXDNHBFR-UHFFFAOYSA-N

InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C15H12O4
Molecular Weight	256.2534
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.	2014-07	23843199
Urinary phthalate metabolites in relation to biomarkers of inflammation and oxidative stress: NHANES 1999-2006.	2011-07	21349512
Childhood exposure to phthalates: associations with thyroid function, insulin-like growth factor I, and growth.	2010-10	20621847
Correlations between phthalate metabolites in urine, serum, and seminal plasma from young Danish men determined by isotope dilution liquid chromatography tandem mass spectrometry.	2010-09	20822678
Determination of five phthalate monoesters in human urine using gas chromatography-mass spectrometry.	2010-07	20574658
Dietary intake is associated with phthalate body burden in a nationally representative sample.	2010-07	20392686
Investigation of relationships between urinary biomarkers of phytoestrogens, phthalates, and phenols and pubertal stages in girls.	2010-07	20308033
Removal of the endocrine disrupter butyl benzyl phthalate from the environment.	2010-06	20396882
Association of exposure to phthalates with endometriosis and uterine leiomyomata: findings from NHANES, 1999-2004.	2010-06	20185384
Exposure to phthalates and breast cancer risk in northern Mexico.	2010-04	20368132
Association of endocrine disruptors and obesity: perspectives from epidemiological studies.	2010-04	20113374
Transcriptional biomarkers of steroidogenesis and trophoblast differentiation in the placenta in relation to prenatal phthalate exposure.	2010-02	20123604
Intra- and inter-individual variability of urinary phthalate metabolite concentrations in Hmong women of reproductive age.	2010-01	19223940
Urinary phthalate monoesters and endometriosis in infertile Japanese women.	2009-12-15	19811803
The breast cancer and the environment research centers: transdisciplinary research on the role of the environment in breast cancer etiology.	2009-12	20049199
Urinary phthalate metabolites in relation to preterm birth in Mexico city.	2009-10	20019910
EHP paper of the year, 2009.	2009-06	19590659
Degradation of n-butyl benzyl phthalate using TiO2/UV.	2009-05-30	18818016
Exposure to bisphenol A and other phenols in neonatal intensive care unit premature infants.	2009-04	19440505
Medications as a potential source of exposure to phthalates in the U.S. population.	2009-02	19270786
Phthalate exposure among pregnant women in Jerusalem, Israel: results of a pilot study.	2009-02	18824263
Lactational exposure to phthalates in Southern Italy.	2009-02	18684505
Concentrations of phthalate metabolites in milk, urine, saliva, and Serum of lactating North Carolina women.	2009-01	19165392
Comparative toxicological evaluation of phthalate diesters and metabolites in Sprague-Dawley male rats for risk assessment.	2009	20077217
Maternal and infant urinary phthalate metabolite concentrations: are they related?	2008-11	18715556
Prenatal phenol and phthalate exposures and birth outcomes.	2008-08	18709157
The role of exposure to phthalates from polyvinyl chloride products in the development of asthma and allergies: a systematic review and meta-analysis.	2008-07	18629304
Association of urinary phthalate metabolite concentrations with body mass index and waist circumference: a cross-sectional study of NHANES data, 1999-2002.	2008-06-03	18522739
Characterization of phthalate exposure among pregnant women assessed by repeat air and urine samples.	2008-04	18414628
Phthalate diesters and their metabolites in human breast milk, blood or serum, and urine as biomarkers of exposure in vulnerable populations.	2008-03	18335100
Complete degradation of butyl benzyl phthalate by a defined bacterial consortium: role of individual isolates in the assimilation pathway.	2008-01	17669462
Peroxisome proliferator-activated receptors as mediators of phthalate-induced effects in the male and female reproductive tract: epidemiological and experimental evidence.	2008	18288285
The plasticizer butyl benzyl phthalate induces genomic changes in rat mammary gland after neonatal/prepubertal exposure.	2007-12-06	18062813
Metabolism and biochemical pathway of n-butyl benzyl phthalate by Pseudomonas fluorescens B-1 isolated from a mangrove sediment.	2007-11	17296224
Di(2-ethylhexyl) phthalate metabolites may alter thyroid hormone levels in men.	2007-07	17637918
Concentrations of urinary phthalate metabolites are associated with increased waist circumference and insulin resistance in adult U.S. males.	2007-06	17589594
[Identification of metabolites of environmental hormone butylbenzyl phthalate in mice urine by liquid chromatography/ion trap mass spectrometry].	2007-03	17633646
Kinetics of n-butyl benzyl phthalate degradation by a pure bacterial culture from the mangrove sediment.	2007-02-09	16876944
Occurrence and daily variation of phthalate metabolites in the urine of an adult population.	2007-01	17182278
In silico prediction of pregnane X receptor activators by machine learning approaches.	2007-01	17003167
Integrating biomonitoring exposure data into the risk assessment process: phthalates [diethyl phthalate and di(2-ethylhexyl) phthalate] as a case study.	2006-11	17107868
Exposure to phthalates in neonatal intensive care unit infants: urinary concentrations of monoesters and oxidative metabolites.	2006-09	16966100
Elucidation of n-butyl benzyl phthalate biodegradation using high-performance liquid chromatography and gas chromatography-mass spectrometry.	2006-09	16871373
Estimated daily phthalate exposures in a population of mothers of male infants exhibiting reduced anogenital distance.	2006-06	16759976
Human breast milk contamination with phthalates and alterations of endogenous reproductive hormones in infants three months of age.	2006-02	16451866
Prenatal phthalate exposure and anogenital distance in male infants.	2006-02	16451842
Personal care product use predicts urinary concentrations of some phthalate monoesters.	2005-11	16263507
Use of di(2-ethylhexyl) phthalate-containing medical products and urinary levels of mono(2-ethylhexyl) phthalate in neonatal intensive care unit infants.	2005-09	16140631
Decrease in anogenital distance among male infants with prenatal phthalate exposure.	2005-08	16079079
Estrogen-antagonist activities of phthalic acid mono-n-butyl ester and phthalic acid mono-2-ethylhexyl ester.	2005	16184079

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:12:09 GMT 2025` Edited by `admin` on `Mon Mar 31 21:12:09 GMT 2025`
Record UNII	27NM8BNV1K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-402008

Preferred Name

English

MONOBENZYL PHTHALATE

Systematic Name

English

BENZYLHYDROGENPHTHALAT

Common Name

English

1,2-BENZENEDICARBOXYLIC ACID, 1-(PHENYLMETHYL) ESTER

Common Name

English

BENZYL HYDROGEN PHTHALATE

Systematic Name

English

PHTHALIC ACID, BENZYL ESTER

Common Name

English

MONO-N-BENZYL PHTHALATE

Common Name

English

1,2-BENZENEDICARBOXYLIC ACID, MONO(PHENYLMETHYL) ESTER

Common Name

English

Benzylhydrogenphthalat [WHO-DD]

Common Name

English

MONO-BENZYL PHTHALATE

Systematic Name

English

2-((BENZYLOXY)CARBONYL)BENZOIC ACID

Systematic Name

English

Code System Code Type Description

SMS_ID

100000077162