基本情報
- CAS
16883-83-3- 標準SMILES
CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C- InChIKey
HPZSSCRWFLKGOG-UHFFFAOYSA-N- 分子式
- C27H34O6
- 平均分子量
- 454.6 g/mol
- 単同位体質量
- 454.2355388
名称と識別子
- 優先名称
- Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate
- IUPAC
- 1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate
- 現地名
- フタル酸1-ベンジル2-(1-イソブチリルオキシ-2,2,4-トリメチルペンタン-3-イル)
- 英語名
- 3-Hydroxy-2,2,4-triMethylpentyl Ester Benzyl Phthalate
- 分子式
- C27H34O6
- 分子量
- 454.56
名称と別名
16883-83-3Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalateBenzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalateEINECS 240-920-1NUV6UJ70241,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl esterDTXSID4027785Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate1,2-Benzenedicarboxylic acid, 1-(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) 2-(phenylmethyl) esterPhthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrate1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-(BENZYL PHTHALATE) ISOBUTYRATEISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZYL PHTHALATE
名称をさらに表示
フタル酸1-ベンジル2-(1-イソブチリルオキシ-2,2,4-トリメチルペンタン-3-イル)フタル酸1-ベンジル2-[3-(イソブチリルオキシ)-1-イソプロピル-2,2-ジメチルプロピル]ベンジル＝3-（イソブチリルオキシ）-1-イソプロピル-2，2-ジメチルプロピル＝フタラートベンジル 2-[({2,2,4-トリメチル-1-[(2-メチルプロパノイル)オキシ]ペンタン-3-イル}オキシ)カルボニル]ベンゾアートbenzyl phthalate derivativeBenzyl-3-isobutyryloxy-1-isopropyl-2,2-dimethyl-propylphthalatPhthalic acid 1-benzyl 2-(1-isobutyryloxy-2,2,4-trimethylpentan-3-yl) esterPhthalic acid 1-benzyl 2-[3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl] ester2,2-DIMETHYL-1-(1-METHYLETHYL-3-(2-METHYL-1-OXYPROPOXY)PROPYL PHENYLMETHYL-1,2-BENZENEDICARBOXYLOATE1,2-Benzene dicarboxylic acid, 2,2-diMethlyl-1-(1-Methyl ethyl)-3-(2-Methyl 1-oxopropoxy) phenyl Methyl ester
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) esterRefChem:566487DTXCID5077851-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalatebenzyl 2-[({2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl}oxy)carbonyl]benzoateHPZSSCRWFLKGOG-UHFFFAOYSA-NSanticizer(R) 278
データベース識別子
- CAS
16883-83-3- PubChem CID
- 28124
- DTXSID
DTXSID4027785- UNII
- NUV6UJ7024
- EC Number
- 240-920-1
- Nikkaji
- J106.001E
物性
構造計算による物性
- XLogP
- 6.6
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 13
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 647
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 533.1 · 533.1±35.0 °C(Predicted)
- 比重(密度)
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- EPAの化学物質情報
- 2 · Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate (16883-83-3)
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。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 96.6% (85 of 88) of all reports.
Not Classified
Aggregated GHS information provided per 88 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
化学と産業
用途と製造
U.S. Production2023: 5,000,000 - <10,000,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
Plastics Product Manufacturing
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester: ACTIVE
応用分野
使用3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate is used as a plasticizer in the synthesis of rubber materials and PVC.
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Alchem Pharmtech,Inc.8485655694 · [email protected]
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