1,5-디메틸-1,2,3,4-테트라히드로나프탈렌

1,5-Dimethyltetralin

HCID 89516CAS 21564-91-0
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기본 정보

표준 SMILES
Cc1cccc2c1CCCC2C
InChIKey
BMADLDGHUBLVMQ-UHFFFAOYSA-N
분자식
C12H16
평균 분자량
160.25 g/mol
단동위원소 질량
160.12520051

개요

1,5-dimethyltetralin is a member of the class of tetralins that is tetralin which is substituted by a methyl group at position 1 and at position 5. It is an ortho-fused bicyclic hydrocarbon and a member of tetralins. It derives from a hydride of a tetralin.

이름 및 식별자

우선 이름
1,5-Dimethyltetralin
IUPAC
1,5-dimethyl-1,2,3,4-tetrahydronaphthalene
현지명
1,5-디메틸-1,2,3,4-테트라히드로나프탈렌
영어명
1,5-Dimethyl-1,2,3,4-tetrahydronaphthalene
분자식
C12H16
분자량
160.26

이름 및 동의어

1,5-Dimethyltetralin1,5-Dimethyl-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydro-1,5-dimethylnaphthalene1,5-Dimethyltetraline1,5-DMTEINECS 244-446-6Naphthalene, 1,2,3,4-tetrahydro-1,5-dimethyl-CHEBI:48650RefChem:73499244-446-6BMADLDGHUBLVMQ-UHFFFAOYSA-N21564-91-0
이름 더 보기
1,5-디메틸-1,2,3,4-테트라히드로나프탈렌
SCHEMBL598145SCHEMBL29659736DTXSID10871324MFCD00128082AKOS015913319DA-08192NS000510861,5-dimethyl-1,2,3,4-tetrahydro-naphthalene

데이터베이스 식별자

CAS
21564-91-0
PubChem CID
89516
DTXSID
DTXSID10871324
ChEBI
CHEBI:48650
EC Number
244-446-6
Nikkaji
J112.952J

물성

구조 계산 물성

XLogP
4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
12

물리화학적 성질

녹는점
-17.94 °C · -17.94°C (estimate)
끓는 점
245 · 245-249 °C (lit.)
밀도
0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.539(lit.)
인화점
223 °F · 223 °F
InChI
1S/C12H16/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3,5,8,10H,4,6-7H2,1-2H3

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
스토리지 클래스
10 - Combustible liquids

화학 및 산업

응용 분야

용도1,5-Dimethyltetralin (1,5-DMT) may be employed as a precursor for the preparation of 2,6-naphthalenedicarboxylic acid.

일반 설명1,5-Dimethyltetralin can be prepared from 5-(o-tolyl)-pent-1-ene and 5-(o-tolyl)-pent-2-ene.

공급사6 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

추가 설명

정의ChEBI: A member of the class of tetralins that is tetralin which is substituted by a methyl group at position 1 and at position 5,

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