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フタル酸ジウンデシル (分岐鎖異性体混合物)

Diisoundecyl phthalate

HCID 175686
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
96507-86-7
標準SMILES
CC(C)CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
InChIKey
LGBAGUMSAPUZPU-UHFFFAOYSA-N
分子式
C30H50O4
平均分子量
474.7 g/mol
単同位体質量
474.37091007

概要

Diisoundecyl phthalate is a phthalate ester. Phthalate esters are esters of phthalic acid and are mainly used as plasticizers, primarily used to soften polyvinyl chloride. They are found in a number of products, including glues, building materials, personal care products, detergents and surfactants, packaging, children's toys, paints, pharmaceuticals, food products, and textiles. Phthalates are hazardous due to their ability to act as endocrine disruptors. They are being phased out of many products in the United States and European Union due to these health concerns. (L1903)

名称と識別子

優先名称
Diisoundecyl phthalate
IUPAC
bis(9-methyldecyl) benzene-1,2-dicarboxylate
現地名
フタル酸ジウンデシル (分岐鎖異性体混合物)
英語名
DIUNDECYL PHTHALATE
分子式
C30H50O4
分子量
474.72

名称と別名

Diisoundecyl phthalate96507-86-7bis(9-methyldecyl) benzene-1,2-dicarboxylateDTXSID90242295EINECS 306-165-8RefChem:134100Diisoundecyl phthalic acidDTXCID901647861-dodecyl 2-(3-ethyl-2-propylhexyl) benzene-1,2-dicarboxylate306-165-8Bis(9-methyldecyl) phthalate500282-16-6
名称をさらに表示
フタル酸ジウンデシル (分岐鎖異性体混合物)フタル酸ジイソウンデシル (MIXTURE OF BRANCHED ISOMERS)Diplast L 11STDI-N-UNDECYL PHTHALATEDiundecyl Phthalate PHTHALIC ACID DIUNDECYL ESTERDiisoundecyl phthalate, techn.Di-iso-undecyl phthalate@100 μg/mL in MethanolDiundecylPhthalate(mixtureofbranchedchainisomers)>Diisoundecyl Phthalate (Mixture of Branched Isomers)
1,2-Benzenedicarboxylic acid, diisoundecyl esterdiisoundecylphthalateNSC17081SCHEMBL368921, bis(9-methyldecyl) esterSCHEMBL29400488LGBAGUMSAPUZPU-UHFFFAOYSA-NMSK159191

データベース識別子

CAS
96507-86-7
PubChem CID
175686
DTXSID
DTXSID90242295
EC Number
306-165-8
Nikkaji
J820.924C

物性

構造計算による物性

XLogP
11.7
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
22
重原子数
34
形式電荷
0
複雑度
468

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
267 °C · 267 °C / 3mmHg
屈折率
1.48 · 1.48
闪点
239 °C · 239 °C
貯蔵温度
Refrigerator
溶解性
クロロホルム(微量)、酢酸エチル(微量)
外見
油
色
無色

化学的性質

化学的特性Clear Colourless Oil

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 · 3 件

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,2-Benzenedicarboxylic acid, diisoundecyl ester

1,2-Benzenedicarboxylic acid, diisoundecyl 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

毒性情報

Health Effects · 1 件

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 · 1 件

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).

安全データ

rtecs
TI1980000
hs_code
2917.34.0150
化審法
(3)-1307
消防法
危-4-4-III

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)

用途と製造

Uses · 1 件

Phthalate esters are mainly used as plasticizers, primarily used to soften polyvinyl chloride. They are found in a number of products, including glues, building materials, personal care products, detergents and surfactants, packaging, children's toys, paints, pharmaceuticals, food products, and textiles. Phthalates are used in a variety of household applications such as shower curtains, vinyl upholstery, adhesives, floor tiles, food containers and wrappers, and cleaning materials. Personal care items containing phthalates include perfume, eye shadow, moisturizer, nail polish, liquid soap, and hair spray. (L1903)

応用分野

使用Diisoundecyl Phthalate is a phthalate diester and has been investigate for its toxicology in male rats for risk assessment.

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