CAS Number85-68-7
Synonyms1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester; butyl phenylmethyl 1,2-benzenedicarboxylate; benzyl butyl benzene-1,2-dicarboxylate; MFCD00009440; Butyl Benzyl Phthalate; EINECS 201-622-7; Phthalic acid, benzyl butyl ester; benzyl n-butyl phthalate; 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
Molecular Formula2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5
Molecular Weight312.36
Purity98%
Density1.1±0.1 g/cm3
Boiling Point408.3±20.0 °C at 760 mmHg
Melting Point<-35ºC
Appearanceviscous liquid
EINECS201-622-7
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 85-68-7 |
| Catalog No. | 2A-9017456 |
| Chinese Name | 邻苯二甲酸丁苄酯 |
| Synonyms | 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester; butyl phenylmethyl 1,2-benzenedicarboxylate; benzyl butyl benzene-1,2-dicarboxylate; MFCD00009440; Butyl Benzyl Phthalate; EINECS 201-622-7; Phthalic acid, benzyl butyl ester; benzyl n-butyl phthalate; 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate |
| Molecular Formula | 2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5 |
| Molecular Weight | 312.36 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 408.3±20.0 °C at 760 mmHg |
| Melting Point | <-35ºC |
| Appearance | viscous liquid |
| Water Solubility | 0.000269 g/100 mL |
| Storage Condition | Seal and store in a dry place at 4°C away from lig |
| Packaging | III |
| Application | Benzyl butyl phthalate, a member of phthalates (PAEs), can cause the migration and invasion of hemangioma (HA) cells by upregulating the expression of Zeb1. Benzyl butyl phthalate activates the aryl h |
| EINECS | 201-622-7 |
| HTC | 29173400 |
| PubChem ID | 24858674 |
| MDL Number | MFCD00009440 |
| SMILES | CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 |
| InChI | 1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 |
| InChI Key | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2062204 |
| NACRES Code | NA.23 |
| UNSPSC | 12162002 |
| Hazard Symbols | 9 |
| MSDS | msds/17456_1_85_68_7.pdf |
| Bioactivity | Benzyl butyl phthalate, a member of phthalic acid esters (PAEs), can trigger the migration and invasion of hemangioma (HA) cells via upregulation of Zeb1. Benzyl butyl phthalate activates aryl hydrocarbon receptor (AhR) in breast cancer cells to stimulate SPHK1/S1P/S1PR3 signaling and enhances formation of metastasis-initiating breast cancer stem cells (BCSCs)[1][2][3]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> Aryl Hydrocarbon Receptor In Vitro Benzyl butyl phthalate (BBP) is commonly added during the manufacturing of plastics to increase flexibility and elasticity[1]. Benzyl butyl phthalate induces histone modifications in S1PR3 in side population (SP) cells, but not in non-SP cells[3]. References [1]. Sun G, et al. Developmental toxicity and cardiac effects of butyl benzyl phthalate in zebrafish embryos. Aquat Toxicol. 2017;192:165-170. [2]. Cui S, et al. Benzyl butyl phthalate (BBP) triggers the migration and invasion of hemangioma cells via upregulation of Zeb1. Toxicol In Vitro. 2019;60:323-329. [3]. Wang YC, et al. Benzyl butyl phthalate promotes breast cancer stem cell expansion via SPHK1/S1P/S1PR3 signaling. Oncotarget. 2016;7(20):29563-29576. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 408.3±20.0 °C at 760 mmHg Melting Point <-35ºC Molecular Formula C19H20O4 Molecular Weight 312.360 Flash Point 198.3±20.2 °C Exact Mass 312.136169 PSA 52.60000 LogP 5.00 Vapour density 10.8 (vs air) Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.553 InChIKey IRIAEXORFWYRCZ-UHFFFAOYSA-N SMILES CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 Water Solubility 0.000269 g/100 mL Freezing Point -35℃ |
| Use of | Properties Articles43 Name Benzyl butyl phthalate Synonym More Synonyms Benzyl butyl phthalate Biological Activity Related Catalog Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> Aryl Hydrocarbon Receptor In Vitro Benzyl butyl phthalate (BBP) is commonly added during the manufacturing of plastics to increase flexibility and elasticity[1]. Benzyl butyl phthalate induces histone modifications in S1PR3 in side population (SP) cells, but not in non-SP cells[3]. References [1]. Sun G, et al. Developmental toxicity and cardiac effects of butyl benzyl phthalate in zebrafish embryos. Aquat Toxicol. 2017;192:165-170. [2]. Cui S, et al. Benzyl butyl phthalate (BBP) triggers the migration and invasion of hemangioma cells via upregulation of Zeb1. Toxicol In Vitro. 2019;60:323-329. Chemical & Physical Properties Molecular Formula C19H20O4 Exact Mass 312.136169 PSA 52.60000 Vapour density 10.8 (vs air) Index of Refraction 1.553 InChIKey IRIAEXORFWYRCZ-UHFFFAOYSA-N Freezing Point -35℃ |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Chemical name |
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