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ビス(2-エチル酪酸)1,2-エタンジイルビス(オキシ-2,1-エタンジイル)

Triethylene glycol bis(2-ethylbutyrate)

HCID 7217
ノート反応
基本情報概要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
95-08-9
標準SMILES
CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC
InChIKey
JEYLQCXBYFQJRO-UHFFFAOYSA-N
分子式
C18H34O6
平均分子量
346.5 g/mol
単同位体質量
346.23553881

概要

Triethylene glycol di-(2-ethylbutyrate) is a light colored liquid. (USCG, 1999)

名称と識別子

優先名称
Triethylene glycol bis(2-ethylbutyrate)
IUPAC
2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
現地名
ビス(2-エチル酪酸)1,2-エタンジイルビス(オキシ-2,1-エタンジイル)
英語名
TRIETHYLENE GLYCOL DI(2-ETHYLBUTYRATE)
分子式
C18H34O6
分子量
346.46

名称と別名

Plasticizer 3GH95-08-9Triglycol dihexoateTriglycol dicaproateTRIETHYLENE GLYCOL BIS(2-ETHYLBUTYRATE)Flexol plasticizer 3GHTriethylene glycol di-2-ethylbutyrateTriethyleneglycol diethyl butyrateTriethylene glycol di(2-ethyl butyrate)2,2'-(Ethylenedioxy)di(ethyl 2-ethylbutyrate)Triethylene glycol bis(2-ethyl butyrate)NSC 406329
名称をさらに表示
トリエチレングリコールジ(2-エチルブチラート)ビス(2-エチル酪酸)3,6-ジオキサオクタン-1,8-ジイルビス(2-エチル酪酸)エチレンビス(オキシエチレン)フレキソール3GHトリエチレングリコールジ(2-エチルブチレート)ビス(2-エチル酪酸)1,2-エタンジイルビス(オキシ-2,1-エタンジイル)トリエチレングリコルジ(2エチルブチレト)2-(2-{2-[(2-エチルブタノイル)オキシ]エトキシ}エトキシ)エチル 2-エチルブタノアートFlexol 3GHFlexol-3GHplasticizer3ghtriglycoldihexoatetriglycoldicaproateflexolplasticizer3gh
Triglycol di-(2-ethylbutyrate)2-Ethylbutyric acid, triethylene glycol diesterButyric acid, 2-ethyl-, diester with triethylene glycolHSDB 5285Triethylene glycol di-(2-ethylbutyrate)Triethylene glycol, bis(2-ethylbutyrate)OWT3WGI62I2-Ethylbutyric acid, diester with triethylene glycol

物性

構造計算による物性

XLogP
3.2
極性表面積
71.1 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
17
重原子数
24
形式電荷
0
複雑度
291

実験および物理化学的性質

Chemical ClassesOther Classes -> Ethylene Glycols
Density · 3 件

0.9946 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9946 @ 20 °C/20 °C

Bulk density = 8.3 lb/gal @ 20 °C

Viscosity10.3 CENTIPOISES @ 20 °C
Color/FormLIGHT-COLORED LIQUID
Solubility0.02% BY WT IN WATER @ 20 °C
Flash Point · 2 件

385 °F (USCG, 1999)

385 °F

Boiling Point>300 °C
Melting Point-10 °C
Vapor Pressure · 2 件

0.0000905 [mmHg]

5.8 MM HG @ 200 °C

Physical Description · 2 件

Triethylene glycol di-(2-ethylbutyrate) is a light colored liquid. (USCG, 1999)

Light colored liquid; [HSDB] Hygroscopic; [CAMEO] Fruity pleasant odor; [MSDSonline]

Other Experimental Properties

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 ClassificationNot Classified

危険有害性情報

Regulatory InformationChemical: Butanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Health HazardsExposure can cause irritation of eyes, nose and throat. (USCG, 1999)
Hazards SummaryIn lethal-dose feeding studies, causes somnolence and kidney changes; [RTECS] An eye, nose, and throat irritant; [CAMEO] May cause irritation; [MSDSonline] See Triethylene glycol.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 件

TRIETHYLENE GLYCOL DI-(2-ETHYLBUTYRATE) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire (USCG, 1999).

Air and Water ReactionsHygroscopic. Water soluble.
Hazard Classes and CategoriesNot Classified

化学と産業

用途と製造

Uses · 2 件

Used as plasticizer; [HSDB]

PLASTICIZER

General Manufacturing InformationButanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester: ACTIVE

応用分野

一般的な説明Light colored liquid.

サプライヤー1 社

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要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

データベース識別子

CAS
95-08-9
PubChem CID
7217
DTXSID
DTXSID80861696
UNII
OWT3WGI62I
EC Number
202-389-4
Nikkaji
J12.875I
196 °C @ 5 MM HG

物理化学的性質

融点
-10 °C · -10 °C
沸点
401.18 °C · 401.18°C (rough estimate)
比重(密度)
0.995 · 0.9950
屈折率
1.445 · 1.4450 (estimate)
Henry's Law Constant
9.9 · 9.9×105 mol/(m3Pa) at 25℃, HSDB (2015)
EPAの化学物質情報
Triethylene glycol bis(2-ethylbutyrate) (95-08-9)

安全と保護具

Fire FightingFire Extinguishing Agents Not to Be Used: Water.
First AidCall for medical aid.
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.

Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 240(SRC), determined from an experimental water solubility(2) and a recommended regression-derived equation(3), indicates that triethylene glycol bis(2-ethylbutyrate) will have moderate mobility in soil(SRC). Volatilization of triethylene glycol bis(2-ethylbutyrate) is not expected to be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 1X10-11 atm-cu m/mole(SRC), using a recommended regression equation(4). Volatilization from dry soil surfaces(SRC) is not expected based on an estimated vapor pressure of 9X10-5 mm Hg(SRC), determined from a fragment constant method(5). According to a biodegradation study(6), triethylene glycol bis(2-ethylbutyrate) will biodegrade quickly in soil(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 240(SRC), determined from an experimental water solubility(2) and a recommended regression-derived equation(1), indicates that triethylene glycol bis(2-ethylbutyrate) may adsorb to suspended solids and sediment in the water(SRC). Triethylene glycol bis(2-ethylbutyrate) will be essentially non-volatile from water surfaces(1,SRC) based on an estimated Henry's Law constant of 1X10-11 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). According to a classification scheme(4), an estimated BCF value of 31(1,SRC), from an experimental water solubility(2), suggests that bioconcentration in aquatic organisms is moderate, not high(SRC). Base-catalyzed hydrolysis half-lives for triethylene glycol bis(2-ethylbutyrate) have been estimated(SRC), through a structure estimation method(5), to be 2.9 years and 29 years at pHs of 8 and 7, respectively(5,SRC). According to a biodegradation study(6), triethylene glycol bis(2-ethylbutyrate) will biodegrade quickly in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), triethylene glycol bis(2-ethylbutyrate), which has an estimated vapor pressure of 9X10-5 mm Hg at 25 °C(2,SRC), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase triethylene glycol bis(2-ethylbutyrate) is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 10 hours(3,SRC). Particulate-phase triethylene glycol bis(2-ethylbutyrate) may be physically removed from the air by wet and dry deposition(SRC).

Soil Adsorption/Mobility · 1 件

The Koc of triethylene glycol bis(2-ethylbutyrate) is estimated as approximately 240(SRC), using an experimental water solubility of 200 mg/l(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that triethylene glycol bis(2-ethylbutyrate) has medium mobility in soil(SRC).

TSCA Test Submissions · 1 件

The acute inhalation toxicity of triethylene glycol di(2-ethylbutyrate) was evaluated in groups of six rats (strain not reported) receiving whole body exposure. Animals were exposed to the mist formed by bubbling a stream of air through test article at 170 degrees Celsius. The maximum and minimum periods of exposure resulting in no fatality and all animals dying were 15 and 30 minutes, respectively.

Artificial Pollution SourcesTriethylene glycol bis(2-ethylbutyrate)'s production and use as an plasticizer(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationA four week biodegradation study using 30 mg/l sludge and a triethylene glycol bis(2-ethylbutyrate) concentration of 100 mg/L gave 79-84% theoretical BOD(1).
Environmental Bioconcentration · 1 件

An estimated BCF value of 31 was calculated for triethylene glycol bis(2-ethylbutyrate)(SRC), using an experimental water solubility of 200 mg/l(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is moderate, not high(SRC).

Volatilization from Water/Soil · 1 件

The Henry's Law constant for triethylene glycol bis(2-ethylbutyrate) is estimated as 1X10-11 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that triethylene glycol bis(2-ethylbutyrate) will be essentially nonvolatile from water surfaces(2,SRC). Triethylene glycol bis(2-ethylbutyrate)'s values for vapor pressure, 9X10-5 mm Hg(3,SRC) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces should not occur(SRC).

Environmental Abiotic Degradation · 1 件

The rate constant for the vapor-phase reaction of triethylene glycol bis(2-ethylbutyrate) with photochemically produced hydroxyl radicals has been estimated as 3.9X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 10 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Base-catalyzed hydrolysis half-lives for triethylene glycol bis(2-ethylbutyrate) have been estimated(SRC), through a structure estimation method(2), to be 2.9 years and 29 years at pHs of 8 and 7, respectively(2,SRC).

Probable Routes of Human ExposureOccupational exposure may occur through inhalation and dermal contact with this compound at workplaces where triethylene glycol bis(2-ethylbutyrate) is produced and used. (SRC)
Environmental Fate/Exposure Summary · 1 件

Triethylene glycol bis(2-ethylbutyrate)'s production and use as an plasticizer may result in its release to the environment through various waste streams. If released to soil, triethylene glycol bis(2-ethylbutyrate) will have moderate mobility based on an estimated Koc value of 240. Volatilization of triethylene glycol bis(2-ethylbutyrate) should not be important from moist soil surfaces given an estimated Henry's Law constant of 1X10-11 atm-cu m/mole. Volatilization from dry soil surfaces is not expected either based on an estimated vapor pressure of 9X10-5 mm Hg. According to a biodegradation study, triethylene glycol bis(2-ethylbutyrate) will biodegrade quickly in soil and water. If released to water, triethylene glycol bis(2-ethylbutyrate) may adsorb to suspended solids and sediment. Triethylene glycol bis(2-ethylbutyrate) will be essentially non-volatile from water surfaces based on an estimated Henry's Law constant of 1X10-11 atm-cu m/mole. An estimated BCF value of 31 suggests that bioconcentration in aquatic organisms is moderate, not high. Triethylene glycol bis(2-ethylbutyrate) has estimated based-catalyzed hydrolysis half-lives of 2.9 years at a pH of 8 and 29 years at a pH of 7. If released to the atmosphere, triethylene glycol bis(2-ethylbutyrate), which has an estimated vapor pressure of 9X10-5 mm Hg, will exist in both the vapor and particulate phases. Vapor-phase triethylene glycol bis(2-ethylbutyrate) is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 10 hours. Particulate-phase triethylene glycol bis(2-ethylbutyrate) may be physically removed from the air by wet and dry deposition. Occupational exposure may occur through inhalation and dermal contact with this compound at workplaces where triethylene glycol bis(2-ethylbutyrate) is produced and used. (SRC)

安全データ

tsca
TSCA listed
化審法
2-2500
有毒物質データの
95-08-9(Hazardous Substances Data)