Benzyl butyl phthalate
SmallMolecule
T3DB_ID
T3D0195
描述
Benzyl butyl phthalate (BBzP) is a phthalate ester mostly used as a plasticizer for PVC. Phthalate esters can cause reproductive and developmental toxicity. (A2883, L1902)
类别
"Household Toxin", "Industrial/Workplace Toxin", "Pollutant", "Synthetic Toxin"
同义词
"1,2-Benzenedicarboxylic acid butyl phenylmethyl ester", "1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester", "1-Benzyl 2-butyl phthalate", "Benzyl butyl phthalic acid", "Benzyl butylphthalate", "Benzyl n-butyl phthalate", "Butyl benzyl phthalate", "Butyl phenylmethyl 1,2-benzenedicarboxylate", "Butylbenzyl phthalate", "Butylbenzylphthalate", "N-butyl benzyl phthalate", "Santicizer 160", "Sicol", "Sicol 160", "Unimoll BB"
CAS登记号
85-68-7
化学式
C19H20O4
平均分子量
312.3597
单同位素质量
312.136159128
IUPAC 名称
1-benzyl 2-butyl benzene-1,2-dicarboxylate
传统名称
benzyl butyl phthalate
简化分子线性输入规范
CCCCOC(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1
InChI 标识符
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
InChIKey=IRIAEXORFWYRCZ-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Benzenoids
类型
Benzene and substituted derivatives
子类
Benzoic acids and derivatives
直接大类
Benzoic acid esters
另外分类
"Benzoyl derivatives", "Benzyloxycarbonyls", "Carboxylic acid esters", "Dicarboxylic acids and derivatives", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds"
取代基
"Aromatic homomonocyclic compound", "Benzoate ester", "Benzoyl", "Benzyloxycarbonyl", "Carboxylic acid derivative", "Carboxylic acid ester", "Dicarboxylic acid or derivatives", "Hydrocarbon derivative", "Organic oxide", "Organic oxygen compound", "Organooxygen compound"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"2-hydroxyisophthalic acid", "Phthalates"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
生物流体位置
组织位置
途径
状态
Liquid
外貌
Colourless oily liquid. (L1208)
熔点/沸点/溶解度
< -35°C/370 °C/0.00269 mg/mL at 25 °C [HOWARD,PH et al. (1985)]
日志P
暴露途径
Oral (L1208) ; inhalation (L1208) ; dermal (L1208)
毒性机制
Phthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (A2883)
代谢
Phthalate esters are first hydrolyzed to their monoester derivative. Once formed, the monoester derivative can be further hydrolyzed in vivo to phthalic acid or conjugated to glucuronide, both of which can then be excreted. The terminal or next-to-last carbon atom in the monoester can also be oxidized to an alcohol, which can be excreted as is or first oxidized to an aldehyde, ketone, or carboxylic acid. The monoester and oxidative metabolites are excreted in the urine and faeces. (A2884)
毒性值
LD50: 3160 mg/kg (Intraperitoneal, Mouse) (L1208) LD50: 2330 mg/kg (Oral, Rat) (L1208) LD50: 4170 mg/kg (Oral, Mouse) (L1208)
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
Benzyl butyl phthalate (BBzP) is mostly used as a plasticizer for PVC. (L1902)
最低风险等级
健康影响
Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called 'phthalate syndrome’. (A2883)
症状
Phthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883)
治疗
药库 ID
HMDB_ID
PubChem 化合物 ID
2347
维基百科链接
http://en.wikipedia.org/wiki/Benzyl_butyl_phthalate
创建于
2009-03-06 18:58:15 UTC
更新于
2014-12-24 20:21:18 UTC
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