CAS Number4376-20-9
SynonymsUNII:FU2EWB60RT; 2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid; 2-(2-ethylhexoxycarbonyl)benzoic acid; mono(2-ethylhexyl) phthalate; 2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid; Mono(2-ethylhexyl)phthalate [MEHP]; rac Mono(ethylhexyl) Phthalate; 1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester; Monoethylhexyl phthalate (mEHP); EINECS 224-477-1
Molecular FormulaC16H22O4
Molecular Weight278.34
Purity97%
Density1.1±0.1 g/cm3
Boiling Point408.9±28.0 °C at 760 mmHg
Melting Point25-27ºC
Appearanceliquid (Colorless)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4376-20-9 |
| Catalog No. | 2A-9078712 |
| Chinese Name | 邻苯二甲酸单(2-乙基己基)酯 |
| Synonyms | UNII:FU2EWB60RT; 2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid; 2-(2-ethylhexoxycarbonyl)benzoic acid; mono(2-ethylhexyl) phthalate; 2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid; Mono(2-ethylhexyl)phthalate [MEHP]; rac Mono(ethylhexyl) Phthalate; 1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester; Monoethylhexyl phthalate (mEHP); EINECS 224-477-1 |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.34 |
| Purity | 97 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 408.9±28.0 °C at 760 mmHg |
| Melting Point | 25-27ºC |
| Appearance | liquid (Colorless) |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | Phthalic acid mono-2-ethylhexyl ester (MEHP) is the major bioactive metabolite of dihexyl phthalate (DEHP) and inhibits the 17,20 lyase activity of CYP17. |
| HTC | 2922509090 |
| PubChem ID | 329768552 |
| MDL Number | MFCD00041500 |
| SMILES | O=C(O)C1=CC=CC=C1C(OCC(CC)CCCC)=O |
| InChI | 1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18) |
| InChI Key | DJDSLBVSSOQSLW-UHFFFAOYSA-N |
| Beilstein/REAXYS | 3206630 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/78712_1_4376_20_9.pdf |
| Use of | Properties Name mono(2-ethylhexyl) phthalate Synonym More Synonyms UNII:FU2EWB60RT Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References Chemical & Physical Properties Molecular Formula C16H22O4 Exact Mass 278.151794 PSA 63.60000 Index of Refraction 1.517 InChIKey DJDSLBVSSOQSLW-UHFFFAOYSA-N Storage condition Refrigerator Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Phthalic acid, mono-(2-ethylhexyl) ester CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C16-H22-O4 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : QVR BVO1Y4&2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Metabolism (Intermediary) - lipids including transport TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Blood - pigmented or nucleated red blood cells Blood - changes in leukocyte (WBC) count TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Liver - changes in liver weight TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - other neonatal measures or effects TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : 6320 ug/kg SEX/DURATION : male 7 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : male 5 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SEX/DURATION : male 20 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SEX/DURATION : male 10 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - other effects on male TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-13 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 7 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 1-17 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 - other effects to embryo TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : male 9 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct TYPE OF TEST : Specific locus test TYPE OF TEST : Morphological transformation TYPE OF TEST : Cytogenetic analysis MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : REFERENCE : ESKGA2 Eisei Kagaku. Hygienic Chemistry. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1953- Volume(issue)/page/year: 28,P36,1982 Safety Information Hazard Codes Xi RTECS TI2500000 HS Code 2922509090 Synthetic Route Phthalic anhydride CAS#:85-44-9 2-Ethylhexanol CAS#:104-76-7 UNII:FU2EWB60RT CAS#:4376-20-9 Literature: Environmental Science and Technology, , vol. 35, # 18 p. 3757 - 3763 bis(2-ethylhexy... CAS#:117-81-7 UNII:FU2EWB60RT CAS#:4376-20-9 Literature: Biological and Pharmaceutical Bulletin, , vol. 20, # 7 p. 749 - 751 Phthalic anhydride CAS#:85-44-9 2-Ethylhexanol CAS#:104-76-7 bis(2-ethylhexy... CAS#:117-81-7 UNII:FU2EWB60RT CAS#:4376-20-9 Literature: Collection of Czechoslovak Chemical Communications, , vol. 49, # 1 p. 253 - 266 Precursor & DownStream Precursor 4 CAS#:85-44-9 Phthalic anhydride CAS#:104-76-7 2-Ethylhexanol CAS#:117-81-7 bis(2-ethylhexy... CAS#:110-86-1 DownStream 1 CAS#:117-81-7 bis(2-ethylhexy... |
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