基本情報
- CAS
34006-76-3- 標準SMILES
CCCCOC(=O)c1ccccc1C(=O)OC- InChIKey
XXFSYINDUHLBIL-UHFFFAOYSA-N- 分子式
- C13H16O4
- 平均分子量
- 236.26 g/mol
- 単同位体質量
- 236.10485899
概要
Bis(2-methoxyethyl) phthalate (DMEP) is a specialty plasticiser, used in cellulose ester plastics, and can also be used as a solvent. This compound can form peroxides. (L1210)
名称と識別子
- 優先名称
- 1-Butyl 2-methyl 1,2-benzenedicarboxylate
- IUPAC
- 2-O-butyl 1-O-methyl benzene-1,2-dicarboxylate
- 現地名
- フタル酸1-ブチル2-メチル
- 英語名
- DMEP
- 分子式
- C13H16O4
- 分子量
- 236.26
名称と別名
BUTYL METHYL PHTHALATE34006-76-3DTXSID7074325RefChem:1055158DTXCID30387771-Butyl 2-methyl 1,2-benzenedicarboxylateMethyl butyl phthalate2-O-butyl 1-O-methyl benzene-1,2-dicarboxylatePhthalic acid, butyl methyl ester1,2-Benzenedicarboxylic acid, butyl methyl esterAI3-033421-butyl 2-methyl benzene-1,2-dicarboxylate
名称をさらに表示
フタル酸1-ブチル2-メチル(10R,11R,16S)-16-ヒドロキシ-10-(4-ヒドロキシ-3,5-ジメトキシフェニル)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン(5S)-5β-ヒドロキシ-9α-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5,5a,8aβ,9-テトラヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-8(6H)-オン1-ブチル 2-メチル ベンゼン-1,2-ジカルボキシラート4′-デメチルピポドフィロトキシンDmepPhthalic acid 1-butyl 2-methyl ester1,2-Benzenedicarboxylic acid, 1-butyl 2-methyl ester
1-Butyl 2-methyl phthalate #SCHEMBL6057141XXFSYINDUHLBIL-UHFFFAOYSA-NAKOS007848104Butyl methyl benzene-1,2-dicarboxylateEBC-618318NS000963721,2-BENZENEDICARBOXYLIC ACID BUTYL METHYLESTER
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 262
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 沸点
- 384.9 °C · 384.9°C (rough estimate)
- 比重(密度)
- 1.264 · 1.2640 (rough estimate)
- 屈折率
- 1.4795 · 1.4795 (estimate)
- 水溶解度
- 8.43 g/L · 8.43g/L(20℃)
- EPAの化学物質情報
- Butyl methyl phthalate (34006-76-3)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Health Effects
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)
Exposure RoutesOral (L1903) ; inhalation (L1903) ; dermal (L1903)
Toxicity Summary
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)
Signs and SymptomsPhthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
薬理情報
Metabolism/Metabolites
In pregnant rat, DMEP rapidly undergoes hydrolysis to 2-methoxyethanol (2-ME) and mono-2-methoxyethyl phthalate (MMEP). 2-ME is then oxidised to methoxyacetic acid (MAA). The rat foetus has little or no ability to hydrolyse DMEP to the monoester and intact DMEP is rapidly transferred across the placenta into the foetus. (L1210)
用途と製造
UsesBis(2-methoxyethyl) phthalate (DMEP) is a specialty plasticizer, used in cellulose ester plastics, and can also be used as a solvent. (L1210)
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