2-シクロヘキシルアセトアルデヒド

2-Cyclohexylacetaldehyde

HCID 316627CAS 5664-21-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=CCC1CCCCC1
InChIKey: JJMDTERTPNYIGZ-UHFFFAOYSA-N
分子式: C8H14O
平均分子量: 126.2 g/mol
単同位体質量: 126.10446507

名称と識別子

優先名称: 2-Cyclohexylacetaldehyde
IUPAC: 2-cyclohexylacetaldehyde
現地名: 2-シクロヘキシルアセトアルデヒド
英語名: 2-Cyclohexylacetaldehyde
分子式: C8H14O
分子量: 126.2

名称と別名

2-cyclohexylacetaldehyde5664-21-1DTXSID40311703RefChem:470938DTXCID40262827839-178-7cyclohexylacetaldehydeCyclohexaneacetaldehydecyclohexyl-acetaldehydeMFCD02261737NSC-244934YYW2A23ZV3

名称をさらに表示

2-シクロヘキシルアセトアルデヒドシクロヘキシルアセトアルデヒド2-cyclohexylethanal(2-Oxoethyl)cyclohexane2-cyclohexylacetaldehyde - [C86991]

cyclohexylmethyl carboxaldehydeCyclohexylacetaldehyde (~90%)2-Cyclohexylacetaldehyde; Cyclohexylmethyl carboxaldehyde; NSC 244934Aldehydes, 5cyclohexylactaldehydeNSC244934cyclohexyl acetaldehydecyclohexyl acetoaldehyde

データベース識別子

CAS: 5664-21-1
PubChem CID: 316627
DTXSID: DTXSID40311703
ChEMBL: CHEMBL1999575
UNII: YYW2A23ZV3
EC Number: 839-178-7
Nikkaji: J807.986B

物性

構造計算による物性

XLogP: 2.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 82

物理化学的性質

沸点: 69 °C · 69 °C(Press: 12 Torr)
比重(密度): 0.9187 g/cm3 · 0.9187 g/cm3
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: クロロホルム（控えめに）
外見: 油
色: 無色
臭い (Odor): Refreshing green-floral odor of poor tenacity.

化学的性質 · 1 件

化学的特性This aldehyde 2-cyclohexylacetaldehyde finds some use in perfumery, although only in certain types of fragrances for household products, etc. Its odor type is not suitable for finer perfumes, except as a minor ingredient in aldehydic topnote compositions. Its power and low cost makes it an attractive item for the volume fragrances intended for detergents, room-sprays, cleaners, etc. It gives pleasant and refreshing effects in Pine needle fragrances, and performs well with all the Citrus oils.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.