イソノニルフェノール

2-Isononylphenol

HCID 119757CAS 11066-49-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)CCCCCCc1ccccc1O
InChIKey: UZVAZDQMPUOHKP-UHFFFAOYSA-N
分子式: C15H24O
平均分子量: 220.35 g/mol
単同位体質量: 220.18271539

名称と識別子

優先名称: 2-Isononylphenol
IUPAC: 2-(7-methyloctyl)phenol
現地名: イソノニルフェノール
英語名: isononylphenol
分子式: C15H24O
分子量: 220.35046

名称と別名

o-Isononylphenol27938-31-42-IsononylphenolRefChem:473854248-741-0Isononylphenol2-(7-methyloctyl)phenol11066-49-22169371-45-1Phenol, 2-isononyl-isononyl phenolSCHEMBL223105

名称をさらに表示

イソノニルフェノールisononyl-phenoEinecs 234-284-4Phenol, isononyl-

SCHEMBL7949910SCHEMBL30211835DTXSID90950626EINECS 248-741-0MFCD30533811AS-79015NS00050538D93052

データベース識別子

CAS: 11066-49-2、27938-31-4
PubChem CID: 119757
DTXSID: DTXSID90950626
EC Number: 234-284-4、248-741-0
Nikkaji: J3.715.743K

物性

構造計算による物性

XLogP: 5.9
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: 7
重原子数: 16
形式電荷: 0
複雑度: 165

物理化学的性質

溶解性: Chloroform (Slightly), Methanol (Slightly), DCM, Hexanes
外見: Oil
色: Light Yellow to Colourless
EPAの化学物質情報: Isononylphenol (11066-49-2)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (80.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H400 (80.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 2 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

Regulatory Information · 2 件

Hazard Traits - Endocrine Toxicity；Authoritative List - EC EDs；Report - if used as a fragrance or flavor ingredient

Substance: Isononylphenol；EC: 234-284-4；Date of inclusion: >19-Dec-2012；Reason for inclusion: Endocrine disrupting properties (Article 57(f) - environment)

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (80.9%)；Repr. 2 (100%)；Aquatic Acute 1 (80.9%)；Aquatic Chronic 1 (100%)

Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

法規制情報