4-オクチルフェノール

4-n-Octylphenol

HCID 15730

基本情報

CAS: 1806-26-4
標準SMILES: CCCCCCCCc1ccc(O)cc1
InChIKey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
分子式: C14H22O
平均分子量: 206.32 g/mol
単同位体質量: 206.16706532

概要

4-octylphenol is a member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. It has a role as a metabolite, a surfactant and a xenoestrogen.

名称と識別子

優先名称: 4-n-Octylphenol
IUPAC: 4-octylphenol
現地名: 4-オクチルフェノール
英語名: 4-N-OCTYLPHENOL
分子式: C14H22O
分子量: 206.32

名称と別名

4-OCTYLPHENOL1806-26-44-n-OctylphenolPhenol, 4-octyl-p-OctylphenolPhenol, p-octyl-1-(p-Hydroxyphenyl)octaneDTXSID90223127DF2B8LH3PDTXCID902312CHEBI:34432RefChem:100248

名称をさらに表示

4-n-オクチルフェノールp-オクチルフェノールパラ-オクチルフェノール4-オクチルフェノール4-N-オクチルフェノール標準品ｐオクチルフェノルパラ-オクチルフェノ?ル4‐N‐オクチルフェノール標準品P-N-オクチルフェノール標準品OCTYLPHENOLS4-n-OctyL4-octyl-phenoP-N-OCTYL PHENOL4-Octylphenol,99%4-Octylphenol (Standard)

217-302-5para-OctylphenolMFCD00036134MLS001055340NCGC00090986-03SMR0006779394-tert-Octylphenol; NSC 5427; NSC 7248;p-t-Octylphenol; p-tert-OctylphenolHSDB 5857

データベース識別子

CAS: 1806-26-4、71902-25-5
PubChem CID: 15730
DTXSID

物性

構造計算による物性

XLogP: 5.3
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: 7
重原子数: 15
形式電荷: 0
複雑度: 136

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Phenols

Semi-Volatile Organic Compound (SVOC) and(or) Waste-water effluent contaminant

Density0.96 g/cm³

SolubilitySolubility in water: none

Flash Point · 2 件

113 °C

113 °C c.c.

Endocrine DisruptorsPotential endocrine disrupting compound

Boiling Point280 °C

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 11.1% (62 of 558) of reports.

Danger

H314 (81%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 558 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory InformationChemical: Phenol, 4-octyl-

Other Safety InformationIMAP assessments - Octylphenols: Human health tier II assessment

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.

Hazards Summary · 1 件

Caused somnolence and diarrhea in lethal-dose feeding studies of rats; Reproductive effects include developmental abnormalities of the urogenital tract; [RTECS] Low ingestion toxicity; Emergency treatment for detergents and soaps; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [ICSC] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

UN ClassificationUN Hazard Class: 8; UN Pack Group: II

Chemical DangersDecomposes on burning. This produces toxic fumes. Reacts with reducing agents.

化学と産業

薬理情報

MeSH Pharmacological ClassificationNon-steroidal compounds with estrogenic activity.

用途と製造

Uses · 4 件

Used to make nonionic surfactants, resins, fungicides, bactericides, dyestuffs, adhesives, and rubber chemicals; Also used in plasticizers and antioxidants and as a fuel oil stabilizer; [HSDB]

Petroleum Production and Refining [Category: Industry]

MFR OF NONIONIC SURFACTANTS; PLASTICIZERS; ANTIOXIDANTS; FUEL OIL STABILIZER; INTERMEDIATE FOR RESINS, FUNGICIDES, BACTERICIDES, DYESTUFFS, ADHESIVES, RUBBER CHEMICALS /OCTYL PHENOL ISOMERS/

CHEM INT FOR ETHOXYLATED NONIONIC SURFACTANT

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 2 件

(1977) AT LEAST 4.54X10+8 GRAMS

(1981) No Data

Methods of Manufacturing · 2 件

CATALYTIC ALKYLATION OF PHENOL WITH OLEFINS. /P-TERT-ISOMER/

PROBABLY BY REACTION OF 1-OCTENE WITH PHENOL FOLLOWED BY VACUUM DISTILLATION TO ISOLATE PRODUCT

Formulations/PreparationsAVAILABLE COMMERCIALLY AS A LIQUID. /OCTYL PHENOL ISOMERS/

応用分野 · 4 件

用途油溶性フェノール樹脂?界面活性剤原料

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 1806-26-4
標準SMILES: CCCCCCCCc1ccc(O)cc1
InChIKey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
分子式: C14H22O
平均分子量: 206.32 g/mol
単同位体質量: 206.16706532

概要

4-octylphenol is a member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. It has a role as a metabolite, a surfactant and a xenoestrogen.