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りん酸二水素(2-エチルヘキシル)

2-Ethylhexyl dihydrogen phosphate

HCID 14050
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1070-03-7
標準SMILES
CCCCC(CC)COP(=O)(O)O
InChIKey
LJKDOMVGKKPJBH-UHFFFAOYSA-N
分子式
C8H19O4P
平均分子量
210.21 g/mol
単同位体質量
210.10209608

名称と識別子

優先名称
2-Ethylhexyl dihydrogen phosphate
IUPAC
2-ethylhexyl dihydrogen phosphate
現地名
りん酸二水素(2-エチルヘキシル)
英語名
(2-Ethylhexyl) phosphate
分子式
C8H19O4P
分子量
210.21

名称と別名

2-ETHYLHEXYL DIHYDROGEN PHOSPHATE1070-03-7Mono(2-ethylhexyl)phosphateEthylhexyl acid phosphateMono(2-ethylhexyl) phosphatePhosphoric acid, mono(2-ethylhexyl) ester2-Ethylhexyl acid phosphate(2-Ethylhexyl)orthophosphateHSDB 2594EINECS 213-967-0NSC 41916NSC 62313
名称をさらに表示
りん酸二水素(2-エチルヘキシル)りん酸(2-エチルヘキシル)りん酸2-エチルヘキシルりん酸二水素2-エチルヘキシル2-エチルヘキシル二水素ホスファート2エチルヘキシルアシッドホスフェート2-エチルヘキシル=二水素=ホスファート2-ETHYLHEXYL PHOSPHATE(2-Ethylhexyl) phosphatemono (2-ethylhexyl) phosphate(2-ETHYLHEXYL) PHOSPHATE 1070-03-7PHOSPHORIC ACID 2-ETHYLHEXYL ESTER2-Ethylhexyl acid phosphate (mixture)Phosphoric acid dihydrogen 2-ethylhexylPhosphoric acid dihydrogen (2-ethylhexyl)
1-Hexanol, 2-ethyl-, dihydrogen phosphateNSC-41916NSC-62313UNII-8939S90183DTXSID80351848939S90183(2-ETHYLHEXYL)ORTHOPHOSPHATE [HSDB]ORTHOPHOSPHORIC ACID 2-ETHYLHEXYL ALCOHOL MONOESTER

データベース識別子

CAS
1070-03-7
PubChem CID
14050
DTXSID
DTXSID8035184
ChEMBL
CHEMBL3182035
UNII
8939S90183
EC Number
213-967-0
Nikkaji
J64.763B

物性

構造計算による物性

XLogP
1.6
極性表面積
66.8 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
7
重原子数
13
形式電荷
0
複雑度
166

実験および物理化学的性質

Chemical ClassesOther Classes -> Organophosphates, Other
Vapor Pressure0.0000004 [mmHg]
Physical DescriptionLiquid
Collision Cross Section150.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8035184]

物理化学的性質

沸点
321.8 · 321.8±25.0 °C(Predicted)
比重(密度)
1.127 · 1.127±0.06 g/cm3(Predicted)
蒸気圧
0 Pa · 0Pa at 20℃
闪点
130 °C · 130 °C
外見
Liquid
酸解離定数(Pka)
1.93 · 1.93±0.10(Predicted)
InChI
1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKey
LJKDOMVGKKPJBH-UHFFFAOYSA-N
SMILES
CCCCC(CC)COP(O)(O)=O
LogP
2.65 at · 2.65 at 25℃ and pH4-9
表面張力
30.4 mN/m · 30.4mN/m at 1g/L and 20℃
EPAの化学物質情報
2 · 2-Ethylhexyl dihydrogen phosphate (1070-03-7)

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 · 5 件

This chemical does not meet GHS hazard criteria for 0.4% (3 of 678) of reports.

Danger

H314 (99.1%): 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 678 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Phosphoric acid, mono(2-ethylhexyl) ester

Phosphoric acid, mono(2-ethylhexyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, mono(2-ethylhexyl) ester 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)

REACH registered substance: 2-ethylhexyl dihydrogen phosphate (EC: 213-967-0)

2-Ethylhexyl dihydrogen phosphate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes somnolence and acute pulmonary edema in lethal-dose feeding studies of rats; [RTECS] Low in acute toxicity; Mild eye irritant; LOAEL for females is 375 mg/kg/day in subchronic testing based on weight loss; Developmental toxicity LOAEL is 250 mg/kg/day based on increased skeletal and visceral abnormalities; Incomplete database for mutagenicity; Not neurotoxic; [Reference #1]

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, mono(2-ethylhexyl) ester is included on this list.

Hazard Classes and CategoriesSkin Corr. 1A (99.1%)

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

法規制情報

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, mono(2-ethylhexyl) ester is included on this list.

安全データ

wgk
WGK 3
tsca
TSCA listed
risk_code
21-34
hazard_code
C
safety_code
26-36/37/39-45
ストレージクラス
10 - Combustible liquids
有毒物質データの
1070-03-7(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 5 件

Used as surface-active agent (hydrotrope, penetrant, and wetting agent); [HSDB] Used as a disinfectant, fungicide, and microbicide in carpet backings, vinyl and polymer products, carpet/floor cleaners, paint, and textiles; [Reference #1]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

SURFACE-ACTIVE AGENT (HYDROTROPE, PENETRANT, WETTING AGENT)

RECOVERY OF ALUM USED FOR PHOSPHORUS REMOVAL IN WASTEWATER TREATMENT WAS ACCOMPLISHED BY A SOLVENT-EXTRACTION PROCEDURE. AN EQUAL-MOLAR MIXTURE OF MONO- & DI(2-ETHYLHEXYL)PHOSPHORIC ACID WAS USED AS EXTRACTANT.

Acidic extractant for metals.

U.S. Production · 6 件

2023: 700,000 - <850,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1992) 277,000 kg

(1992) 216,000 kg /Sodium salt/

(1991) 350,000 kg

For more U.S. Production (Complete) data for 2-ETHYLHEXYL DIHYDROGEN PHOSPHATE (6 total), please visit the HSDB record page.

Industry UsesCorrosion inhibitor
Methods of ManufacturingREACTION OF 2-ETHYLHEXANOL AND PHOSPHORUS OXYCHLORIDE
General Manufacturing Information · 4 件

Petroleum Lubricating Oil and Grease Manufacturing

Phosphoric acid, mono(2-ethylhexyl) ester: ACTIVE

Related chemicals: In 1992, 2-ethylhexanol and ethoxylated nonylphenol, polyphosphated and 2-ethylhexanol and ethoxylated nonylphenol, polyphosphated, sodium salt were produced by C.N.C. International, Inc., 20 Priveledge St., Woonsocket, RI 02895 (401)769-6100

Related chemicals: In 1994, 2-ethylhexyl alcohol, polyphosphated, sodium salt and 2-ethylhexanol, ethoxylated and phosphated were produced by Akzo Chemicals Inc Gallipolis Ferry, WV; 2-ethylhexyl alcohol, phosphated, sodium salt was produced by Rhone-Poulenc Inc, Windsor Ga.

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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
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南通合润生物科技有限公司18362409333 · [email protected]
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广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
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溧阳市瑞普新材料有限公司+86-0519-82038123,18951201333
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
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金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
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巴师傅(上海)生物医药科技有限公司60662071 18117346937 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
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河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
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XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
武汉吉鑫益邦生物科技有限公司59768661 13297943853 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
江苏润丰合成科技有限公司0513-66017678 18551497631 · [email protected]
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江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
江苏雷恩环保科技有限公司66814573 16651336298 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
康迪斯化工(湖北)有限公司18064039730 · [email protected]

関連反応

1 件
反応記録を作成
HRID 1577491 の反応式
HRID 1577491反応物としてuspto-grants-1981_09

化合物ノート

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