基本情報
- 標準SMILES
CCOCCC(=O)OCC- InChIKey
BHXIWUJLHYHGSJ-UHFFFAOYSA-N- 分子式
- C7H14O3
- 平均分子量
- 146.18 g/mol
- 単同位体質量
- 146.09429431
概要
Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)
名称と識別子
- 優先名称
- Ethyl 3-ethoxypropionate
- IUPAC
- ethyl 3-ethoxypropanoate
- 現地名
- 3-エトキシプロピオン酸エチル
- 英語名
- Ethyl 3-ethoxypropionate
- 分子式
- C7H14O3
- 分子量
- 146.18
名称と別名
Ethyl 3-ethoxypropionate763-69-9Propanoic acid, 3-ethoxy-, ethyl esterEthyl-3-ethoxypropionateEthyl beta-ethoxypropionateDTXSID0027309EC38RSJ79JNSC-8870DTXCID907309RefChem:1386923-EEP212-112-9
名称をさらに表示
3-エトキシプロピオン酸エチル3-エトキシプロパン酸エチルエチル3-エトキシプロピオナートエクタプロEEP4-オキサヘキサン酸エチル3エトキシプロピオン酸エチルエチル＝３エトキシプロピオナトエチル＝3-エトキシプロパノアートエチル=3‐エトキシプロパノアートEEPEEP-3eep solventEktapro EEPcas no 763-69-9ethoxypropionate3-ethoxypropionate
Ethyl 3-ethoxypropanoate3-Ethoxypropionic acid ethyl esterEthyl 3-EthyoxypropionateEthoxypropionic acid, ethyl esterNSC 8870MFCD00051356PROPIONIC ACID, 3-ETHOXY-, ETHYL ESTEREthylester kyseliny 3-ethoxypropionove
データベース識別子
- CAS
763-69-9- PubChem CID
- 12989
- DTXSID
DTXSID0027309- ChEMBL
CHEMBL3561286- UNII
- EC38RSJ79J
- EC Number
- 212-112-9
- Nikkaji
- J25.585H
物性
構造計算による物性
- XLogP
- 0.6
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 90.9
実験および物理化学的性質
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
Density
0.95 (USCG, 1999) - Less dense than water; will float
0.95
0.9496 @25 °C
Flash Point
138 °F (USCG, 1999)
138 °F
138 °F
Boiling Point
338 °F at 760 mmHg (USCG, 1999)
Boiling point range = 165-172 °C
338 °F
170.1 °C @760 [mm Hg]
Melting Point
-148 °F (USCG, 1999)
-148 °F
-100 °C
Vapor Pressure0.9 [mmHg]
Physical Description
Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)
Liquid; CBI
Water-white liquid with an ester-like odor; [CAMEO]
Water-white liquid with an ester-like odor.
物理化学的性質
- 融点
- -75 °C · -75 °C
- 沸点
- 166 °C · 166 °C (lit.)
- 比重(密度)
- 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
- 蒸気密度
- 5.03 · 5.03 (vs air)
- 蒸気圧
- 2 hPa · 2.0 hPa (25 °C)
- 屈折率
- 20 · n20/D 1.405(lit.)
- 闪点
- 126 °F · 126 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 20 ℃で可溶54.1g/L · 水：20℃で可溶54.1g/L
- 外見
- 液体
- 色
- クリア
- 水溶解度
- 1.6 g/100mL · 1.6g/100mL(20℃)
- Henry's Law Constant
- 1.5 · 1.5×10-2 mol/(m3Pa) at 25℃, Yaws (1999)
- InChI
- 1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
- InChIKey
- BHXIWUJLHYHGSJ-UHFFFAOYSA-N
- SMILES
- CCOCCC(=O)OCC
- LogP
- 1.47 at · 1.47 at 20℃
- CAS データベース
- 763 · 763-69-9(CAS DataBase Reference)
- NISTの化学物質情報
- 3 · Propionic acid, 3-ethoxy-, ethyl ester(763-69-9)
- EPAの化学物質情報
- 3 · Ethyl 3-ethoxypropionate (763-69-9)
化学的性質
化学的特性Ethyl 3-ethoxypropionate is a flammable, colorless liquid.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 15.2% (234 of 1538) of reports.
Warning
H226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1538 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Propanoic acid, 3-ethoxy-, ethyl ester
Propanoic acid, 3-ethoxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-ethoxy-, ethyl 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)
Status: Active Update: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1990
Propanoic acid, 3-ethoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 3-ethoxy-, ethyl ester: Human health tier I assessment
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsLiquid or mist may irritate th eyes and skin. May cause headache, nausea and vomiting, central nervous system depression with dizziness, drowsiness and unconsciousness. (USCG, 1999)
Hazards Summary
It appears to be similar to other esters with low toxicity. It is a mild mucous membrane irritant. Animal studies show no adverse effects below 250 ppm. Its unpleasant odor limits use as a substitute for glycol ethers in the electronics industry. [Sullivan, p. 450-1] A skin and eye irritant; Inhalation of high concentrations can cause CNS depression; [CAMEO]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EPA Safer ChemicalChemical: Ethyl-3-ethoxy propionate
Reactivity Profile
ETHYL-3-ETHOXYPROPIONATE 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.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Peroxide Forming Chemical
Ethyl 3-ethoxypropionate
D: Other compounds that may form peroxides
Kelly
http://datasheets.scbt.com/sc-279086.pdf
Hazard Classes and Categories
Flam. Liq. 3 (83.4%)
Flammable liquids - Category 3
安全と保護具
Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective.
First AidINHALATION: Call for medical aid. Remove the victim to fresh air. Give artificial respiration, if not breathing. Give oxygen if breathing difficult.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC)
15 [mg/m3]
170 [mg/m3]
990 [mg/m3]
Personal Protective Equipment (PPE)Rubber boots, rubber gloves, rubber apron, and self-contained breathing apparatus or a supplied air respirator. (USCG, 1999)
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UF3325000
- ridadr
- UN 3272 3/PG 3
- 毒性
- LD50 orally in Rabbit: 3200 mg/kg
- hs_code
- 29189900
- risk_code
- 10-19-50-36-66
- 化審法
- 一般化学物質
- 消防法
- 危-4-2-III
- hazard_code
- N,Xi
- safety_code
- 25-16
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 377 °C
- Hazard Classifications
- Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
UsesSemiconductor Manufacturing [Category: Industry]
U.S. Production2023: 10,000,000 - <50,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 151 consumer products that contain Ethyl 3-ethoxy propionate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Printing Ink Manufacturing
Propanoic acid, 3-ethoxy-, ethyl ester: ACTIVE
応用分野
用途溶媒、塗料、コーティング剤、ラッカー、ワニス
使用Ethyl 3-ethoxypropionate is used in the synthesis of phenols and selective inhibitors of cyclin-dependant kinase 4/6 for novel cancer therapies. It is also used as a solvent to prepare polymers. Further, it is used in paints and coatings.
一般的な説明Water-white liquid with an ester-like odor. Floats on water.
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