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Bis(3,5,5-trimethylhexyl) phthalate

HCID 34277
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
14103-61-8
표준 SMILES
CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C
InChIKey
GDJOUZYAIHWDCA-UHFFFAOYSA-N
분자식
C26H42O4
평균 분자량
418.6 g/mol
단동위원소 질량
418.30830982

개요

Bis(3,5,5-trimethylhexyl) phthalate is a benzoate ester.

이름 및 식별자

우선 이름
Bis(3,5,5-trimethylhexyl) phthalate
IUPAC
bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate
영어명
Bis(3,5,5-trimethylhexyl) phthalate
분자식
C26H42O4
분자량
418.61

이름 및 동의어

Bis(3,5,5-trimethylhexyl) phthalate14103-61-8bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylatealpha-Dinonyl phthalateUNII-19ND350H65EINECS 237-954-419ND350H65J216.866I1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) esterPhthalic acid di(3,5,5-trimethylhexyl) esterPHTHALIC ACID BIS(3,5,5-TRIMETHYLHEXYL) ESTERDI-3,5,5-TRIMETHYLHEXYL PHTHALATE
이름 더 보기
Bis(3,5,5-trimethylhexyl)phthalatBIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE FOR1,2-Benzenedicarboxylicacid, 1,2-bis(3,5,5-trimethylhexyl) ester
1-HEXANOL, 3,5,5-TRIMETHYL-, PHTHALATE (2:1)1,2-BENZENEDICARBOXYLIC ACID, 1,2-BIS(3,5,5-TRIMETHYLHEXYL) ESTERDTXSID0057889RefChem:120107DTXCID1031676237-954-4bis(3,5,5-trimethylhexyl)phthalatePHTHALIC ACID bis(3,5,5-TRI-METHYLHEXYL) ESTER

데이터베이스 식별자

CAS
14103-61-8
PubChem CID
34277

물성

구조 계산 물성

XLogP
9.1
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
14
무거운 원자 수
30
형식 전하
0
복잡도
478

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점
-49 °C · -49 °C
끓는 점
235 · 235-238 °C
밀도
0.97 · 0.97
증기압
1 mm · 1 mm Hg ( 200 °C)
굴절률
1.48 · 1.48
인화점
220 °C · 220 °C
저장 조건
30 °C · Store below +30°C.
물리적 상태
clear liquid
색상
Colorless to Light yellow
수소이온지수(pH)
7 · 7 (20°C in H2O)
폭발한계
0.4 · 0.4-2.9% (v/v)
InChI
1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
InChIKey
GDJOUZYAIHWDCA-UHFFFAOYSA-N

안전 및 규제

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

유해성 정보

Regulatory Information · 2건

Chemical: 1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) ester

Bis(3,5,5-trimethylhexyl) phthalate: 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).
Toxicity DataLD50: >40000 mg/kg (Oral, Rat) (A727) LD50: >9750 mg/kg (Intraperitoneal, Mouse) (A727) LC50: >4.4 mg/L over 4 hours (Inhalation, Rat) (A727)

안전 데이터

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)

공급사11 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEBI
CHEBI:170065
UNII
19ND350H65
EC Number
237-954-4
Nikkaji
J216.866I
wgk
-
rtecs
CZ3395000
risk_code
62-63
safety_code
23-36/37
자연 발화 온도
305°C
스토리지 클래스
10 - Combustible liquids
尤尼威尔化学品(上海)有限公司
021-61932772 13012862996 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
重庆卡兰医药有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]