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디이소헵틸프탈레이트

1,2-Benzenedicarboxylic acid, diisoheptyl ester

HCID 591200
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
41451-28-9
표준 SMILES
CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C
InChIKey
RKELNIPLHQEBJO-UHFFFAOYSA-N
분자식
C22H34O4
평균 분자량
362.5 g/mol
단동위원소 질량
362.24570956

개요

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

이름 및 식별자

우선 이름
1,2-Benzenedicarboxylic acid, diisoheptyl ester
IUPAC
bis(5-methylhexyl) benzene-1,2-dicarboxylate
현지명
디이소헵틸프탈레이트
영어명
Diisoheptylphthalate
분자식
C22H34O4
분자량
362.5

이름 및 동의어

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
이름 더 보기
디이소헵틸프탈레이트Bis(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
7.4
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
14
무거운 원자 수
26
형식 전하
0
복잡도
365

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 2건

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

독성 정보

Health Effects · 1건

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 · 1건

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).

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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)

용도 및 제조

Uses · 1건

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:

공급사42 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

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