Monobenzyl phthalate

Modify Date: 2024-01-02 13:06:23

Monobenzyl phthalate Structure
Monobenzyl phthalate structure
Common Name Monobenzyl phthalate
CAS Number 2528-16-7 Molecular Weight 256.253
Density 1.3±0.1 g/cm3 Boiling Point 441.1±28.0 °C at 760 mmHg
Molecular Formula C15H12O4 Melting Point 106 °C
MSDS N/A Flash Point 167.8±17.5 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Monobenzyl phthalate


Monobenzyl phthalate (2-((Benzyloxy)carbonyl)benzoic acid) is the urinary metabolite exposuring to phthalates, such as, diethylhexyl phthalate (DEHP)[1].

 Names

Name 2-phenylmethoxycarbonylbenzoic acid
Synonym More Synonyms

 Monobenzyl phthalate Biological Activity

Description Monobenzyl phthalate (2-((Benzyloxy)carbonyl)benzoic acid) is the urinary metabolite exposuring to phthalates, such as, diethylhexyl phthalate (DEHP)[1].
Related Catalog
References

[1]. Meiping Tian, et al. Positive Association of Low-Level Environmental Phthalate Exposure With Sperm Motility Was Mediated by DNA Methylation: A Pilot Study. Chemosphere. 2019 Apr;220:459-467.

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 441.1±28.0 °C at 760 mmHg
Melting Point 106 °C
Molecular Formula C15H12O4
Molecular Weight 256.253
Flash Point 167.8±17.5 °C
Exact Mass 256.073547
PSA 63.60000
LogP 2.90
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.609
Storage condition Refrigerator

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ4322500
CHEMICAL NAME :
1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester
CAS REGISTRY NUMBER :
2528-16-7
LAST UPDATED :
199712
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C15-H12-O4
MOLECULAR WEIGHT :
256.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1125 mg/kg
SEX/DURATION :
female 7-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 10,365,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 mg/kg
SEX/DURATION :
female 10-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 10,365,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 mg/kg
SEX/DURATION :
female 13-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 10,365,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 mg/kg
SEX/DURATION :
female 7-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 10,365,1996

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H319
Precautionary Statements P305 + P351 + P338
Hazard Codes Xi
Risk Phrases 36
Safety Phrases 26
RIDADR NONH for all modes of transport
RTECS CZ4325000
HS Code 2918990090

 Synthetic Route

~99%

Monobenzyl phthalate Structure

Monobenzyl phthalate

CAS#:2528-16-7

Literature: Porel, Mintu; Ottaviani, M. Francesca; Jockusch, Steffen; Jayaraj, Nithyanandhan; Turro, Nicholas J.; Ramamurthy Chemical Communications, 2010 , vol. 46, # 41 p. 7736 - 7738

~85%

Monobenzyl phthalate Structure

Monobenzyl phthalate

CAS#:2528-16-7

Literature: Ishihara, Kazuaki; Niwa, Masatoshi; Kosugi, Yuji Organic Letters, 2008 , vol. 10, # 11 p. 2187 - 2190

~58%

Monobenzyl phthalate Structure

Monobenzyl phthalate

CAS#:2528-16-7

Literature: Mineno, Tomoko; Nikaido, Nana; Kansui, Hisao Chemical and Pharmaceutical Bulletin, 2009 , vol. 57, # 10 p. 1167 - 1170

~%

Monobenzyl phthalate Structure

Monobenzyl phthalate

CAS#:2528-16-7

Literature: Tetrahedron, , vol. 70, # 11 p. 1975 - 1983

~%

Monobenzyl phthalate Structure

Monobenzyl phthalate

CAS#:2528-16-7

Literature: Helvetica Chimica Acta, , vol. 7, p. 772

~%

Monobenzyl phthalate Structure

Monobenzyl phthalate

CAS#:2528-16-7

Literature: Chemische Berichte, , vol. 35, p. 4093

 Customs

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%

 Articles21

More Articles
Feasibility of ultra-high performance liquid and gas chromatography coupled to mass spectrometry for accurate determination of primary and secondary phthalate metabolites in urine samples.

Anal. Chim. Acta 853 , 625-36, (2014)

Phthalates (PAEs) are ubiquitous toxic chemical compounds. During the last few years, some phthalate metabolites (MPAEs) have been proposed as appropriate biomarkers in human urine samples to determin...

Determination and separation of bisphenol A, phthalate metabolites and structural isomers of parabens in human urine with conventional high-pressure liquid chromatography combined with electrospray ionisation tandem mass spectrometry.

Anal. Bioanal. Chem 407(9) , 2509-18, (2015)

Phthalates, bisphenol A (BPA) and parabens (PBs), organic chemicals widely used in everyday products, are considered to be endocrine disruptors. We propose a liquid chromatography-tandem mass spectrom...

Monitoring of PAEMs and beta-agonists in urine for a small group of experimental subjects and PAEs and beta-agonists in drinking water consumed by the same subjects.

J. Hazard. Mater. 277 , 169-79, (2014)

This 5-month study contains two parts: (1) to monitor the concentrations of 11 phthalate esters metabolites (PAEMs) and two beta-agonists in human urine samples collected from a small group of consent...

 Synonyms

Phthalic Acid Monobenzyl Ester
2-HO2CC6H4CO2Bn
o-benzyloxycarbonylbenzoic acid
Benzyl Hydrogen Phthalate
2-(benzyloxycarbonyl)benzoic acid
MFCD00020279
1,2-Benzenedicarboxylic acid 1-(phenylmethyl) ester,Phthalic acid monobenzyl ester
mono-Benzyl phthalate
Phthalic acid,benzyl ester
1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester
EINECS 219-771-1
Monobenzyl phthalate (mBzP)
Mono-n-benzyl phthalate
carboxybenzoic acid benzyl ester
Monobenzyl Phthalate
2-[(Benzyloxy)carbonyl]benzoic acid
1,2-Benzenedicarboxylic acid,mono(phenylmethyl) ester
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