アミルシクロヘキサン

Pentylcyclohexane

HCID 20284CAS 29949-27-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCC1CCCCC1
InChIKey: HLTMUYBTNSVOFY-UHFFFAOYSA-N
分子式: C11H22
平均分子量: 154.29 g/mol
単同位体質量: 154.1721507

名称と識別子

優先名称: Pentylcyclohexane
IUPAC: pentylcyclohexane
現地名: アミルシクロヘキサン
英語名: N-PENTYLCYCLOHEXANE
分子式: C11H22
分子量: 154.29

名称と別名

PENTYLCYCLOHEXANE4292-92-61-CyclohexylpentaneCyclohexane, pentyl-EINECS 224-296-8DTXSID2063399nPentylcyclohexane1CyclohexylpentaneCyclohexane, pentylRefChem:860097DTXCID8040193224-296-8

名称をさらに表示

アミルシクロヘキサンペンチルシクロヘキサン1-シクロヘキシルペンタンn-アミルシクロヘキサンN-ペンチルシクロヘキサン, IN ISOOCTANE (1000ΜG/ML)N-ペンチルシクロヘキサンcyclohexane,pentyl-pentyl-cyclohexanAmylcyclohexane >pentane,1-cyclohexyl-Pentane, 1-cyclohexyl-

InChI=1/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1Hn-Pentylcyclohexanen-AmylcyclohexaneAmylcyclohexaneMFCD00019402Cyclohexane, n-pentyl-pentyl-cyclohexanen-Amyl cyclohexane

データベース識別子

CAS: 29949-27-7、4292-92-6
PubChem CID: 20284
DTXSID: DTXSID2063399
EC Number: 224-296-8
Nikkaji: J25.439H

物性

構造計算による物性

XLogP: 5.7
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

Physical DescriptionColorless liquid with a mild odor; [Alfa Aesar MSDS]

Kovats Retention Index · 3 件

1121；1126.52；1130.6；1133.26；1127；1139；1122；1147；1130；1134；1122

1130.2；1134.7；1136；1130.2；1134.7；1136；1132.42；1136.64；1139.51；1128；1137；1155；1130；1130；1135.3；1140.8；1136.9

1288；1293；1299；1304；1309；1315；1320

物理化学的性質

融点: -57.5 °C · -57.5 °C
沸点: 202 °C · 202 °C
比重(密度): 0 · 0,8 g/cm3
闪点: 63 ° · 63°(145°F)
屈折率: 1.4445 · 1.4445
外見: clear liquid
色: Colorless to Almost colorless
Henry's Law Constant: 7.1 · 7.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
LogP: 5.736 · 5.736 (est)
CAS データベース: 4292 · 4292-92-6(CAS DataBase Reference)
EPAの化学物質情報: Cyclohexane, pentyl- (4292-92-6)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Cyclohexane.

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Eye Irrit. 2 (97.5%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

tsca: TSCA listed
ridadr: 1993
hs_code: 2902.19.0050
risk_code: 10
消防法: 危-4-2-III
safety_code: 16
hazard_class: 3
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationCyclohexane, pentyl-: INACTIVE

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