ジシクロヘキシル酢酸, 98+%

Dicyclohexylacetic acid

HCID 3661562

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 52034-92-1
標準SMILES: O=C(O)C(C1CCCCC1)C1CCCCC1
InChIKey: PGGMEZOUAPIYOY-UHFFFAOYSA-N
分子式: C14H24O2
平均分子量: 224.34 g/mol
単同位体質量: 224.17763

名称と識別子

優先名称: Dicyclohexylacetic acid
IUPAC: 2,2-dicyclohexylacetic acid
現地名: ジシクロヘキシル酢酸, 98+%
英語名: Dicyclohexylacetic acid
分子式: C14H24O2
分子量: 224.34

名称と別名

Dicyclohexylacetic acid52034-92-1DTXSID90394783RefChem:337510DTXCID80345643625-968-72,2-dicyclohexylacetic AcidMFCD00075017C14H24O24831AEHexahydro-diphenylessigdicyclohexyl acetic acid

名称をさらに表示

ジシクロヘキシル酢酸, 98+%ジシクロヘキシル酢酸Cyclohexaneacetic acid, α-cyclohexyl-

dicyclohexyl-acetic acidDicyclohexylacetic acid 99%SCHEMBL66996Dicyclohexylacetic acid, 99%Dicyclohexylacetic acid, 98+%SCHEMBL2837484a-Cyclohexylcyclohexaneacetic acidPGGMEZOUAPIYOY-UHFFFAOYSA-N

データベース識別子

CAS: 52034-92-1
PubChem CID: 3661562
DTXSID: DTXSID90394783
EC Number: 625-968-7
Nikkaji: J2.085.287I

物性

構造計算による物性

XLogP: 5.2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 207

物理化学的性質

融点: 139 · 139-141 °C (lit.)
沸点: 353.2 · 353.2±10.0 °C(Predicted)
比重(密度): 1.04 · 1.040±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 4.81 · 4.81±0.10(Predicted)
外見: solid
水溶解度: 0.26 g/L） · 水に難溶（0.26g/L）（25℃）、
InChI: 1S/C14H24O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
InChIKey: PGGMEZOUAPIYOY-UHFFFAOYSA-N
SMILES: OC(=O)C(C1CCCCC1)C2CCCCC2

化学的性質

化学的特性Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29162090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Dicyclohexylacetic acid was used in the synthesis of 2,2-dicyclohexyl-1-(4′-methyl)-phenylethanone. It was also used in the synthesis of catena-poly [[trimethyltin (IV)]--2, 2-dicyclohexylacetato-2O: O′].