ポリ（オキシエチレン）＝ｐ-オクチルフェニル＝エーテル

Polyethylene glycol mono(octylphenyl) ether

HCID 94543CAS 26636-32-8

基本情報

標準SMILES: CCCCCCCCc1ccc(OCCO)cc1
InChIKey: BHNQPLPANNDEGL-UHFFFAOYSA-N
分子式: C16H26O2
平均分子量: 250.38 g/mol

概要

Nonidet P-40 is a poly(ether) macromolecule that is polyethylene glycol in which one of the terminal hydroxy groups has been converted to the corresponding p-octylphenyl ether. A nonionic, non-denaturing detergent, it is used for solubilising membrane proteins during isolation of membrane-protein complexes. n 8. It has a role as a detergent. It is a poly(ethylene glycol) derivative, an aromatic ether and a hydroxypolyether. It is functionally related to a 4-octylphenol.

名称と識別子

優先名称: Polyethylene glycol mono(octylphenyl) ether
IUPAC: 2-(4-octylphenoxy)ethanol
現地名: ポリ（オキシエチレン）＝ｐ-オクチルフェニル＝エーテル
英語名: POLYETHYLENE GLYCOL TERT-OCTYLPHENYL ETHER
分子式: (C2H4O)nC14H22O
分子量: 514.69

名称と別名

4-Octylphenol MonoethoxylateNonidet P40Octoxynol1Emulsifier OPSynperonic OPAlkasurf OPCharger EEthylan CPOctoxynol16Octoxynol20Octoxynol30Ethylan CPX

名称をさらに表示

4-オクチルフェノールエトキシレート標準品ポリ（オキシエチレン）＝ｐ-オクチルフェニル＝エーテル4‐オクチルフェノールエトキシレート標準品5-(4-オクチルフェノキシ)-3-オキサペンタン-1-オール1-[2-(2-ヒドロキシエトキシ)エトキシ]-4-オクチルベンゼンp-オクチルフェノールジエトキシラート2-[2-(4-オクチルフェノキシ)エトキシ]エタン-1-オール2-[2-(4-オクチルフェノキシ)エトキシ]エタノールOCTYLPHENOXYPOLYETHOXYETHANOLIGEPAL(R) CA-630NONIDET P40 SUBSTITUTEmono30DMT-SIOIGEPAL CA-210igepal ca-720Emulsifier 405TRITON(R) X-45

Alkasurf OP 5Alkasurf OP 8Cemulsol P 9Neutronyx 622Neutronyx 675Alkasurf OP 10Alkasurf OP 12Alkasurf OP 40

データベース識別子

CAS: 26636-32-8、51437-89-9、9036-19-5
PubChem CID: 94543
DTXSID: DTXSID20865310
ChEBI: CHEBI:78708
EC Number: 257-203-4
Nikkaji: J261.723D

物性

構造計算による物性

XLogP: 5
極性表面積: 29.5 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: 10
重原子数: 18
形式電荷: 0
複雑度: 174

実験および物理化学的性質

PolymersOther Classes -> Polyoxyethylenes

Endocrine DisruptorsPotential endocrine disrupting compound

DecompositionWhen heated to decomposition it emits acrid smoke and fumes.

Physical DescriptionClear colorless or pale yellow liquid (n < 15); Hygroscopic (n >= 5); (n = avg # moles of ethylene oxide); [CHEMINFO] Clear pale yellow viscous liquid; [MSDSonline]

物理化学的性質

融点: 48 · 48-50 °C(lit.)
比重(密度): 1.1 g/mL · 1.10 g/mL at 20 °C
屈折率: 20 · n20/D 1.500
闪点: 230 °F · >230 °F
貯蔵温度: 0 · 0-6°C
Specific Activity: 1 · 1-5 Ci/mmol
InChI: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3
InChIKey: BHNQPLPANNDEGL-UHFFFAOYSA-N
SMILES: C(C1C=CC(=CC=1)O{-}CC{+n}O)CCCCCCC
CAS データベース: 26636 · 26636-32-8

安全と法規制

危険有害性情報

Hazards SummaryAn irritant; May cause serious eye injury; [MSDSonline]

FDA RequirementsOctylphenoxyethanols may be safely used as a component of articles intended for use in packaging, transporting, or holding food in accordance with prescribed conditions. /Octylphenoxyethanols/

Shipment Methods and Regulations · 1 件

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

安全と保護具

Protective Action Criteria (PAC) · 6 件

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

13 [mg/m3]

140 [mg/m3]

830 [mg/m3]

法規制情報

安全データ

F: 3-8-10-23
wgk: 3
rtecs: YM0616666
ridadr: UN 3082 9/PG 3
risk_code: 41-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 26-39-36-36/37

化学と産業

用途と製造

Uses · 1 件

Used as non-ionic detergent; [ChemIDplus] A nonionic surfactant polymer similar to octoxynol that has been used as a spermicide; [REPROTOX] Polyethylene glycol octylphenyl ether is a mixture of polymers with varying chain lengths. The polymeric content is generally greater than 98%. [CHEMINFO]

Household ProductsInformation on 74 consumer products that contain Octylphenoxypoly(ethoxyethanol) in the following categories is provided:

上流・下流製品情報

上流原料

Epoxy 4-(1,1,3,3-テトラメチルブチル)フェノール

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