3,5,5-트리메틸헥사노익산 3,5,5-트리메틸헥실 에스테르

Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester

HCID 100986CAS 42131-25-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChIKey: UIVPNOBLHXUKDX-UHFFFAOYSA-N
분자식: C18H36O2
평균 분자량: 284.5 g/mol
단동위원소 질량: 284.27153039

이름 및 식별자

우선 이름: Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester
IUPAC: 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
현지명: 3,5,5-트리메틸헥사노익산 3,5,5-트리메틸헥실 에스테르
영어명: 3 5 5-Trimethylhexyl 3 5 5-trimethyl-
분자식: C18H36O2
분자량: 284.48

이름 및 동의어

3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate59219-71-5Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl esterDTXSID80866747RefChem:1086612DTXCID30815003261-665-2Tegosoft IniDermol 99Hatcol 5131S4V5BS6GCXIsononanoic acid, isononyl ester

이름 더 보기

3,5,5-트리메틸헥사노익산3,5,5-트리메틸헥실에스테르3,5,5-트리메틸헥사노익산3,5,5-트리메틸헥실에스테르isononylisononanoate3,5,5-Trimethylhexyl 3,5,5-trimethylcaproatFluka 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoateHexanoicacid,3,5,5-trimethyl-,3,5,5-trimethylhexylester3,5,5-Trimethylhexanoic acid 3,5,5-trimethylhexyl ester

3,5,5-Trimethylhexyl-3,5,5-trimethylhexanoate3 5 5-TRIMETHYLHEXYL 3 5 5-TRIMETHYL-EINECS 261-665-2UNII-S4V5BS6GCXSALACOS 99LANOL 99SCHEMBL5792403,5,5-Trimethyl-1-hexyl 3,5,5-trimethylhexanoate

데이터베이스 식별자

CAS: 42131-25-9、59219-71-5
PubChem CID: 100986
DTXSID: DTXSID80866747
UNII: S4V5BS6GCX
EC Number: 261-665-2
Nikkaji: J308.648H

물성

구조 계산 물성

XLogP: 6.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 10
무거운 원자 수: 20
형식 전하: 0
복잡도: 281

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 286.4 · 286.4±8.0 °C(Predicted)
밀도: 0.856 g/mL · 0.856 g/mL at 20 °C(lit.)
증기압: 0.019 Pa · 0.019Pa at 20℃
굴절률: 20 · n20/D 1.437
화장품 원료 기능: 피부 컨디셔닝 - 보습제피부 컨디셔닝대전방지제
LogP: 7.098 · 7.098 (est)
EPA: 3 · 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate (59219-71-5)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (243 of 243) of all reports.

Not Classified

Aggregated GHS information provided per 243 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester

Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16846

3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
기존화학 물질: KE-34564

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesLubricating agent

Industry UsesLubricating agent

Household ProductsInformation on 3 consumer products that contain Isononyl isononoate in the following categories is provided:

General Manufacturing Information · 2건

Other (requires additional information)

Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester: ACTIVE

공급사36 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

湖北兴琰新材料科技有限公司13129948835 · [email protected]

湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]

吉良化学21-62165282 · [email protected]

연결된 노트

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