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비스(4-메틸-2-펜틸)프탈레이트

Diisohexyl phthalate

HCID 8970
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
146-50-9
표준 SMILES
CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C
InChIKey
ALEROMXYYSQFLX-UHFFFAOYSA-N
분자식
C20H30O4
평균 분자량
334.4 g/mol
단동위원소 질량
334.21440944

개요

Diisohexyl 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)

이름 및 식별자

우선 이름
Diisohexyl phthalate
IUPAC
bis(4-methylpentyl) benzene-1,2-dicarboxylate
현지명
비스(4-메틸-2-펜틸)프탈레이트
영어명
Bis(4-methyl-2-pentyl)phthalate
분자식
C20H30O4
분자량
334.45

이름 및 동의어

DIISOHEXYL PHTHALATE71850-09-4146-50-91,2-Benzenedicarboxylic acid, diisohexyl ester1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester1,2-Benzenedicarboxylic acid diisohexyl esterdiisohexyl benzene-1,2-dicarboxylateBis(4-methylpentyl) 1,2-benzenedicarboxylateEINECS 276-090-2Phthalic acid diisohexyl esterPhthalic acid di(4-methylpentyl) esterDiisohexyl phthalic acid
이름 더 보기
비스(4-메틸-2-펜틸)프탈레이트BIS(4-METHYL-2-PENTYL)PHTHALATEBis(4-methyl-1-pentyl) phthalateBis(4-Methylpentyl)phthalate SolutionPhthalic acid, bis-4-methylpentyl esterC16174690 PhthaliCacid, bis-4-methylpentyLeBis(4-methyl-1-pentyl) phthalate in isooctaneBis(4-methylpentyl) Phthalate Discontinued, see D6792081,2-Benzenedicarboxylicacid, 1,2-bis(4-methylpentyl) ester
RefChem:5878321,2-bis(4-methylpentyl) benzene-1,2-dicarboxylateDTXCID701763975DTXSID401016727276-090-2690-072-5Bis(4-methylpentyl) phthalate259139-51-0

물성

구조 계산 물성

XLogP
6.3
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
12
무거운 원자 수
24
형식 전하
0
복잡도
340

물리화학적 성질

끓는 점
341.5 · 341.5±10.0 °C(Predicted)
밀도
1.01 · 1.010±0.06 g/cm3(Predicted)
굴절률
20 · n20/D 1.484-1.488
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
기름
색상
무색
주요 응용
환경
InChI
1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
InChIKey
ALEROMXYYSQFLX-UHFFFAOYSA-N
SMILES
O=C(OCCCC(C)C)C1=CC=CC=C1C(OCCCC(C)C)=O

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Hazard Traits - Reproductive Toxicity

Substance: Diisohexyl phthalate

Hazard Classes and Categories · 4건

Not Classified

Reproductive toxicity - category 1B

Reproductive toxicity - Category 1B

Repr. 1B

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)

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)

응용 분야

용도Bis(4-methyl-2-pentyl)phthalate, is a phthalic acid ester (PAEs), widely used in many consumable products with potential carcinogenic properties. It is also the product of the fermentation of Streptomyces regnesis 099.

공급사34 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
146-50-9、259139-51-0、71850-09-4
PubChem CID
8970
DTXSID
DTXSID20873995
EC Number
276-090-2、690-072-5
Nikkaji
J342.587H
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).

안전 데이터

wgk
WGK 3
Hazard Classifications
Repr. 1B
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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