1,2,3,4-테트라히드로-1,1,4,4-테트라메틸나프탈렌
1,1,4,4-Tetramethyltetralin
기본 정보
- CAS
6683-46-1- 표준 SMILES
CC1(C)CCC(C)(C)c2ccccc21- InChIKey
CCQKWSZYTOCEIB-UHFFFAOYSA-N- 분자식
- C14H20
- 평균 분자량
- 188.31 g/mol
- 단동위원소 질량
- 188.15650064
이름 및 식별자
- 우선 이름
- 1,1,4,4-Tetramethyltetralin
- IUPAC
- 1,1,4,4-tetramethyl-2,3-dihydronaphthalene
- 현지명
- 1,2,3,4-테트라히드로-1,1,4,4-테트라메틸나프탈렌
- 영어명
- 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene
- 분자식
- C14H20
- 분자량
- 188.31
이름 및 동의어
6683-46-11,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene1,1,4,4-tetramethyltetralinNSC 17400YKU41EDL5YNaphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-DTXSID6064452EINECS 229-723-1NSC-17400RefChem:409660DTXCID2044846
이름 더 보기
1,2,3,4-테트라히드로-1,1,4,4-테트라메틸나프탈렌1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-naphthalen1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalen41,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthaline, tech
229-723-11,1,4,4-tetramethyl-2,3-dihydronaphthaleneMFCD00052728AKOS006227803GS-3790Naphthalene,1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-SY1010665,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene
데이터베이스 식별자
- CAS
6683-46-1- PubChem CID
- 81186
- DTXSID
DTXSID6064452- ChEMBL
CHEMBL540753- UNII
- YKU41EDL5Y
- EC Number
- 229-723-1
- Nikkaji
- J298.060F
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 188
실험 및 물리화학적 성질
SpringerMaterials PropertiesDensity
물리화학적 성질
- 녹는점
- 115 · 115-120℃
- 끓는 점
- 63 °C · 63 °C
- 밀도
- 0.9482 g/cm3 · 0.9482 g/cm3(Temp: 27 °C)
- 굴절률
- 1.5278 · 1.5278 (589.3 nm 27℃)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- Clear, pale yellow
- InChI
- InChI=1S/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3
- InChIKey
- CCQKWSZYTOCEIB-UHFFFAOYSA-N
- SMILES
- C1(C)(C)C2=C(C=CC=C2)C(C)(C)CC1
- EPA
- 1 · Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl- (6683-46-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, 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
Regulatory Information
Chemical: Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2902900000
- risk_code
- 20/21-36/37/38
- hazard_code
- Xi
- safety_code
- 23-26-36/37/39
화학 및 산업
용도 및 제조
General Manufacturing InformationNaphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-: ACTIVE
제조 방법
2,5-dichloro-2,5- dimethylhexane (300 mg, 1.64 mmol, 1 eq) was dissolved in dry benzene (25 mL). Then added AlCl3 (22.0 mg, 0.164 mmol, 0.1 eq) to the solution, which was stirred at reflux for 16 hours. The reaction was stopped with 3M HCl (5 mL) and extracted with hexanes (10 mL x 3). The combined organic layer was washed with brine, dried with Na2S04, filtered, and concentrated in vacuo. Finally, the crude was purified by flash chromatography (100% hexanes) to obtained the colourless oil (1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene).Yield=91%
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