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フタル酸ビス(5-メチルヘキシル)

1,2-Benzenedicarboxylic acid, diisoheptyl ester

HCID 591200
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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
41451-28-9
標準SMILES
CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C
InChIKey
RKELNIPLHQEBJO-UHFFFAOYSA-N
分子式
C22H34O4
平均分子量
362.5 g/mol
単同位体質量
362.24570956

概要

Diisoheptyl phthalate has been reported in Lythrum salicaria with data available.

名称と識別子

優先名称
1,2-Benzenedicarboxylic acid, diisoheptyl ester
IUPAC
bis(5-methylhexyl) benzene-1,2-dicarboxylate
現地名
フタル酸ビス(5-メチルヘキシル)
英語名
Diisoheptylphthalate
分子式
C22H34O4
分子量
362.5

名称と別名

Diisoheptyl phthalate41451-28-9Di-(5-methylhexyl)phthalateD-5-Mhpbis(5-methylhexyl) benzene-1,2-dicarboxylate9JJP9B98FGJAYFLEX 771,2-Benzenedicarboxylic acid, diisoheptyl esterDTXSID70872296RefChem:5878311,2-bis(5-methylhexyl) benzene-1,2-dicarboxylateDTXCID101476720
名称をさらに表示
1,2-ビス(5-メチルヘキシル) ベンゼン-1,2-ジカルボキシラートフタル酸ビス(5-メチルヘキシル)フタル酸ジ(5-メチルヘキシル)Bis(5-methyl-1-hexyl) phthalate in isooctane1,2-Benzenedicarboxylic acid, 1,2-bis(5-methylhexyl) ester
Bis(5-methylhexyl) phthalateDiisoheptylphthalate90937-19-2Phthalic acid, bis-5-methylhexyl esterstarbld0030002DSSTox_CID_9017UNII-9JJP9B98FGDi-Iso- Heptyl- Phthalates

データベース識別子

CAS
41451-28-9、90937-19-2
PubChem CID
591200
DTXSID
DTXSID30872297
ChEMBL
CHEMBL1893293
UNII
9JJP9B98FG
Nikkaji
J1.107.984I

物性

構造計算による物性

XLogP
7.4
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
14
重原子数
26
形式電荷
0
複雑度
365

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。

危険有害性情報

Regulatory Information · 2 件

Hazard Traits - Reproductive Toxicity

1,2-Benzenedicarboxylic acid, diisoheptyl ester: Does not have an individual approval but may be used under an appropriate group standard

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).

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)

Household ProductsInformation on 1 consumer products that contain Diisoheptyl phthalate in the following categories is provided:

サプライヤー42 社

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