CAS 83411-71-6 Bis(2,4,4-trimethylpentyl)phosphinic acid (HCID 157898)

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基本情報

CAS: 83411-71-6
標準SMILES: CC(CC(C)(C)C)CP(=O)(O)CC(C)CC(C)(C)C
InChIKey: QUXFOKCUIZCKGS-UHFFFAOYSA-N
分子式: C16H35O2P
平均分子量: 290.42 g/mol
単同位体質量: 290.23746735

概要

structure in first source

名称と識別子

優先名称: Bis(2,4,4-trimethylpentyl)phosphinic acid
IUPAC: bis(2,4,4-trimethylpentyl)phosphinic acid
現地名: ジ(2,4,4-トリメチルペンチル)ホスフィン酸
英語名: DIISOOCTYLPHOSPHINIC ACID
分子式: C16H35O2P
分子量: 290.42

名称と別名

Bis(2,4,4-trimethylpentyl)phosphinic acid83411-71-6Cyanex 272Phosphinic acid, P,P-bis(2,4,4-trimethylpentyl)-RefChem:129019280-445-7Bis(2,4,4-Trimethylpentyl)-Phosphinic AcidPhosphinic acid, bis(2,4,4-trimethylpentyl)-MFCD28145690bis(2,4,4-trimethylpentyl)phosphinicacidC16H35O2PEINECS 280-445-7

名称をさらに表示

ビス(2,4,4-トリメチルペンチル)ホスフィン酸ジ(2,4,4-トリメチルペンチル)ホスフィン酸シアネックス272Ionquest 290Bis(2,4,4-trimethylpentyl)phosphinsureNJKYUIExtractant 272Phosphoric acid derivativebis(2,4,4-trimethylpentyl)-phosphinicaciDi(2,4,4-trimethylpentyl) Phosphinic AcidPhosphinic acid,bis(2,4,4-triMethylpentyl)-

EC 280-445-7SCHEMBL186893CHEMBL1476841DTXSID60868724QUXFOKCUIZCKGS-UHFFFAOYSA-NAKOS024438132FB32351NCGC00166110-01

物性

構造計算による物性

XLogP: 4.6
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: 8
重原子数: 19
形式電荷: 0
複雑度: 282

実験および物理化学的性質

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physical DescriptionLiquid

物理化学的性質

沸点: 417.1 · 417.1±14.0 °C(Predicted)
比重(密度): 0.916 g/mL · 0.916 g/mL at 20 °C(lit.)
蒸気圧: 0.002 Pa · 0.002Pa at 25℃
屈折率: 20 · n20/D 1.460
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Sparingly), DMSO (Slightly), Methanol (Sparingly)
外見: Oil
酸解離定数(Pka): 3.26 · 3.26±0.50(Predicted)
色: Colourless
水溶解度: 12.5 mg/L · 12.5mg/L at 20℃
InChI: InChI=1S/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18)
InChIKey: QUXFOKCUIZCKGS-UHFFFAOYSA-N
SMILES: P(CC(C)CC(C)(C)C)(CC(C)CC(C)(C)C)(O)=O

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 172 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: Phosphinic acid, bis(2,4,4-trimethylpentyl)-

Phosphinic acid, P,P-bis(2,4,4-trimethylpentyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphinic acid, P,P-bis(2,4,4-trimethylpentyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: Bis(2,4,4-trimethylpentyl)phosphinic acid (EC: 280-445-7)

Phosphinic acid, P,P-bis(2,4,4-trimethylpentyl)-: 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.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29319090
risk_code: 36
hazard_code: Xi
safety_code: 24-26

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesChelating agent

General Manufacturing Information · 2 件

Mining (except Oil and Gas) and support activities

Phosphinic acid, P,P-bis(2,4,4-trimethylpentyl)-: ACTIVE

上流・下流製品情報

上流原料

Phosphinic acid, P-(2,4,4-trimethylpentyl)-Phosphinothioic chloride, P,P-bis(2,4,4-trimethylpentyl)-(2,4,4-trimethylpentyl)phosphonic acid Diisooctylthiophosphinic acid 2,4-ジメチルペンタン 2,4,4-トリメチル-1-ペンテン 2,4,4-トリメチル-2-ペンテン N,N-ジメチルホルムアミドジメチルアセタール

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化合物ノート

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ジ(2,4,4-トリメチルペンチル)ホスフィン酸