4-ドデシルフェノール

4-Dodecylphenol

HCID 66030

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 104-43-8
標準SMILES: CCCCCCCCCCCCc1ccc(O)cc1
InChIKey: KJWMCPYEODZESQ-UHFFFAOYSA-N
分子式: C18H30O
平均分子量: 262.4 g/mol
単同位体質量: 262.22966558

概要

4-Dodecylphenol is a member of phenols.

名称と識別子

優先名称: 4-Dodecylphenol
IUPAC: 4-dodecylphenol
現地名: 4-ドデシルフェノール
英語名: 4-DODECYLPHENOL
分子式: C18H30O
分子量: 262.43

名称と別名

4-Dodecylphenol104-43-8Phenol, 4-dodecyl-p-DodecylphenolPhenol, p-dodecyl-4-n-dodecylphenolMFCD00039521Para-dodecyl phenolCHEMBL194881DTXSID10225084-DODECYLBENZOLOLEZF5Y6P2G8

名称をさらに表示

p-ドデシルフェノール4-ドデシルフェノールP-ラウリルフェノール4-ドデカン-1-イルフェノールP‐ドデシルフェノールPDDP4-laurylphenolP-LAURYLPHENOL4-dodecyl-phenoPARA-DODECYLPHENOL

UNII-EZF5Y6P2G8p-dodecyl phenol4-dodecyl phenolEINECS 203-202-9J104.968BSCHEMBL18082BIDD:ER0007DTXCID402508

データベース識別子

CAS: 104-43-8
PubChem CID: 66030
DTXSID: DTXSID1022508
ChEMBL: CHEMBL194881
ChEBI: CHEBI:34402
UNII: EZF5Y6P2G8
EC Number: 203-202-9
Nikkaji: J104.968B

物性

構造計算による物性

XLogP: 7.5
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: 11
重原子数: 19
形式電荷: 0
複雑度: 182

実験および物理化学的性質

Chemical ClassesOther Classes -> Phenols

LogP7.91

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.0000023 [mmHg]

Physical DescriptionStraw-colored liquid with a phenolic odor; [Fisher Scientific MSDS]

物理化学的性質

融点: 78 °C · 78°C (estimate)
沸点: 310 · 310-335 °C(lit.)
比重(密度): 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.503(lit.)
闪点: 230 °F · >230 °F
酸解離定数(Pka): 10.14 · 10.14±0.15(Predicted)
外見: powder to crystal
色: White to Light yellow
EPAの化学物質情報: 4 · 4-Dodecylphenol (104-43-8)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (73.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 34 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

危険有害性情報

Regulatory Information · 2 件

Chemical: Phenol, 4-dodecyl-

Phenol, 4-dodecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Dodecylphenols

Hazards SummaryMay cause irritation; [Fisher Scientific MSDS] See Dodecylphenol.

Hazard Classes and Categories · 2 件

Skin Corr. 1B (73.5%)

Hazardous to the aquatic environment (Acute) - Category 1