Cyclohexanemethanol (HCID 7507)

概要

structure

名称と識別子

優先名称: Cyclohexanemethanol
IUPAC: cyclohexylmethanol
現地名: シクロヘキサンメタノール
英語名: Cyclohexanemethanol
分子式: C7H14O
分子量: 114.19

名称と別名

CYCLOHEXANEMETHANOLCyclohexylmethanol100-49-2CyclohexylcarbinolCyclohexanecarbinolHexahydrobenzyl alcoholCyclohexylmethyl alcoholHydroxymethylcyclohexane4VDR6634UGNSC-5288DTXSID3059212RefChem:129720

名称をさらに表示

シクロヘキサンメタノールシクロヘキシルカルビノールヒドロキシメチルシクロヘキサンシクロヘキシルメチルアルコールシクロヘキサン-1-メタノールシクロヘキシルメタノールシクロヘキサンメタノルシクロヘキサンカルビノールNSC 5288usafdo-492 ampules)Hexyl MethanolohexanemethanoLCyclohexylmethanecyclohexyl-methano

DTXCID4032453202-857-8Methanol, cyclohexyl-Benzyl alcohol, hexahydro-USAF DO-49(Hydroxymethyl)cyclohexaneMFCD00001510Cyclohexyl methanol

データベース識別子

CAS: 100-49-2
PubChem CID: 7507
DTXSID: DTXSID3059212
UNII: 4VDR6634UG
EC Number: 202-857-8
Nikkaji: J46.539I

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 55.4

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid with a mild camphor odor; [Merck Index] Colorless viscous liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -43 °C · -43°C
沸点: 181 °C · 181 °C (lit.)
比重(密度): 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.465(lit.)
闪点: 160 °F · 160 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: エーテル、アルコールに可溶。
酸解離定数(Pka): 15.17 · 15.17±0.10(Predicted)
外見: 油
色: 無色
Merck: 14 · 14,2731
BRN: 773712 · 773712
Dielectric constant: 9.7 · 9.7(60℃)
InChI: 1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N
SMILES: OCC1CCCCC1
CAS データベース: 100 · 100-49-2(CAS DataBase Reference)
NISTの化学物質情報: Cyclohexanemethanol(100-49-2)
EPAの化学物質情報: Cyclohexanemethanol (100-49-2)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): 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 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Cyclohexanemethanol

Cyclohexanemethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See 2-Cyclohexylethanol.

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: GV5075000
hs_code: 29061900
消防法: 危-4-3-III
safety_code: 23-24/25
自然発火温度: 330 °C
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationCyclohexanemethanol: ACTIVE

応用分野 · 3 件

用途有機合成用原料。

説明Cyclohexanemethanol is a cycloalkanol compound primarily used in organic synthesis for the preparation of other heterocyclic compounds. Under the action of a CaO catalyst (pre-calcined at 300°C), cyclohexanemethanol can be employed in ester exchange reactions to produce various fine chemicals, and is also utilised in the synthesis of polyester compounds.

使用Cyclohexanemethanol used as solvents, fuels . It is also used in pharmaceuticals, plasticizers, surfactants, lubricants, ore floatation agents, hydraulic fluids, and detergents.