Pentylbenzene

HCID 10864CAS 538-68-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCc1ccccc1
InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N
分子式: C11H16
平均分子量: 148.24 g/mol
単同位体質量: 148.12520051

概要

Pentylbenzene is a member of benzenes.

名称と識別子

優先名称: Pentylbenzene
IUPAC: pentylbenzene
英語名: n-Pentylbenzene
分子式: C11H16
分子量: 148.24474

名称と別名

Pentylbenzene538-68-1AmylbenzeneN-AMYLBENZENEBenzene, pentyl-EINECS 208-701-5Benzene, n-pentyl-CCRIS 4103UNII-5409M6Z67MAI3-00452AMYLBENZENE [MI]NSC-73982

名称をさらに表示

5409M6Z67MDTXSID6022054nAmylbenzenenPentylbenzene1Phenylnpentane1Phenylpentanebenzene, pentylPentane, 1phenyl

データベース識別子

CAS: 538-68-1
PubChem CID: 10864
DTXSID: DTXSID6022054
ChEBI: CHEBI:176693
UNII: 5409M6Z67M
EC Number: 208-701-5
Nikkaji: J6.376B

物性

構造計算による物性

XLogP: 5
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: 4
重原子数: 11
形式電荷: 0
複雑度: 80

実験および物理化学的性質

Chemical ClassesFlammable agents - 2nd degree

SolventsSolvents -> Aromatic Solvents

SpringerMaterials PropertiesBoiling point

LogP4.9

Vapor Pressure0.43 [mmHg]

Physical DescriptionLiquid; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -75 °C · -75 °C
沸点: 205.4 °C · 205.4 °C
比重(密度): 0.8664 g/cm3 · 0.8664 g/cm3(Temp: 15.5 °C)

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.

H411 (49%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzene, pentyl-

Benzene, pentyl-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

DOT Hazard Classification · 4 件

n-Amylbenzene

Marine pollutant

n-Pentylbenzene

Marine pollutant

Hazard Classes and Categories · 2 件

Aquatic Chronic 2 (49%)

Flammable agents - 2nd degree

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H411

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

General Manufacturing InformationBenzene, pentyl-: ACTIVE

サプライヤー50 社

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