1,5-ジメチルテトラリン

1,5-Dimethyltetralin

HCID 89516CAS 21564-91-0

基本情報

標準SMILES: Cc1cccc2c1CCCC2C
InChIKey: BMADLDGHUBLVMQ-UHFFFAOYSA-N
分子式: C12H16
平均分子量: 160.25 g/mol
単同位体質量: 160.12520051

概要

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.

名称と識別子

優先名称: 1,5-Dimethyltetralin
IUPAC: 1,5-dimethyl-1,2,3,4-tetrahydronaphthalene
現地名: 1,5-ジメチルテトラリン
英語名: 1,5-Dimethyl-1,2,3,4-tetrahydronaphthalene
分子式: C12H16
分子量: 160.26

名称と別名

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

名称をさらに表示

1,5-ジメチルテトラリン1,5-ジメチル-1,2,3,4-テトラヒドロナフタレン1，5ジメチル-1,2,3,4-テトラナフタレン

SCHEMBL598145SCHEMBL29659736DTXSID10871324MFCD00128082AKOS015913319DA-08192NS000510861,5-dimethyl-1,2,3,4-tetrahydro-naphthalene

データベース識別子

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

物性

構造計算による物性

XLogP: 4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 150

物理化学的性質

融点: -17.94 °C · -17.94°C (estimate)
沸点: 245 · 245-249 °C (lit.)
比重(密度): 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.539(lit.)
闪点: 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
InChIKey: BMADLDGHUBLVMQ-UHFFFAOYSA-N
SMILES: CC1CCCc2c(C)cccc12

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

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

一般的な説明1,5-Dimethyltetralin can be prepared from 5-(o-tolyl)-pent-1-ene and 5-(o-tolyl)-pent-2-ene.

サプライヤー6 社

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]

補足説明

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