1,1,4,4,6-펜타메틸-1,2,3,4-테트라하이드로나프탈렌

1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene

HCID 81187CAS 6683-48-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIKey: AISXBZVAYNUAKB-UHFFFAOYSA-N
분자식: C15H22
평균 분자량: 202.33 g/mol
단동위원소 질량: 202.1721507

이름 및 식별자

우선 이름: 1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene
IUPAC: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene
현지명: 1,1,4,4,6-펜타메틸-1,2,3,4-테트라하이드로나프탈렌
영어명: 1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene
분자식: C15H22
분자량: 202.34

이름 및 동의어

6683-48-31,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthaleneEINECS 229-724-7DTXSID50216952RefChem:410502DTXCID80139443111-831-4229-724-7Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4,6-pentamethyl-MFCD00833394C15H22

이름 더 보기

1,1,4,4,6-펜타메틸-1,2,3,4-테트라하이드로나프탈렌6-Pentamethyl-1Bexarotene Impurity 142-methyl-5,6,7,8-tetrahydro-1,1,4,4,6-Pentamethyltetralin1,1,4,4,6-Pentamethyl-1,2,3,4-1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaph1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydrophthalene1,1,4,4,6-Pentamethyl-1,2,3,4-etrahydronaphthalene1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphtalene

SCHEMBL330266KT2SN6375FSCHEMBL1615553SCHEMBL4047286SCHEMBL8611470SCHEMBL296068311,2,3,4-Tetrahydro-1,1,4,4,6-pentamethyl-naphthaleneCS-B0383

데이터베이스 식별자

CAS: 6683-48-3
PubChem CID: 81187
DTXSID: DTXSID50216952
UNII: KT2SN6375F
EC Number: 229-724-7
Nikkaji: J298.061D

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 31 · 31
끓는 점: 60 · 60-64°C 0,2mm
밀도: 0.882 · 0.882±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 무색~담황색 오일
InChI: InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3
InChIKey: AISXBZVAYNUAKB-UHFFFAOYSA-N
SMILES: C1(C)(C)C2=C(C=C(C)C=C2)C(C)(C)CC1

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2917399590
risk_code: 20/21/22
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Targretin analog, has been shown to induce apoptosis in certain leukemia cell lines.

상·하류 제품 정보

상류 원료

2(1H)-Naphthalenone, 3,4-dihydro-1,1,4,4,7-pentamethyl-167958-79-4 1,1,4,4,7-Pentamethyl-1,2,3,4-tetrahydronaphthalen-2-ol 2,5-디메틸-2,5-헥산디올 2,2,5,5-테트라메틸테트라히드로푸란-3-온 2,5-디클로로-2,5-디메틸헥산 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile 톨루엔

하류 제품

Bexarotene 6-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBONYL)-NICOTINICACIDMETHYL에스테르

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Changzhou Carman Chemical Co., Ltd.15061933924

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

연결된 노트

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