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Diethyl Carbonate

HCID 178771486
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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
76619-83-5
標準SMILES
CCOC(=O)OCC
InChIKey
OIFBSDVPJOWBCH-UHFFFAOYSA-N
分子式
C5H10O3
平均分子量
118.13 g/mol

概要

Diethyl carbonate appears as a colorless liquid with a mild pleasant odor. It is slightly less dense than water and insoluble in water. Hence floats on water. Flash point 77 °F. Vapors are heavier than air. When heated to high temperatures it may emit acrid smoke. Used as a solvent.

名称と識別子

優先名称
Diethyl Carbonate
IUPAC
diethyl carbonate
英語名
Carbonic acid, diethyl ester, radical ion(1-) (9CI)
分子式
C5H10O3
分子量
118.13

名称と別名

DIETHYL CARBONATE105-58-8Ethyl carbonateCarbonic acid diethyl esterEufinCarbonic acid, diethyl esterDiatolCarbonic etherDiaethylcarbonatDiethylkarbonatEthyl carbonate ((EtO)2CO)NCI-C60899
名称をさらに表示
Carbonic acid, diethyl ester, radical ion(1-) (9CI)
Diethylester kyseliny uhliciteDTXSID30250413UA92692HGNSC-8849DTXCID105041RefChem:133406203-311-1diethylcarbonate

データベース識別子

CAS
76619-83-5
ChEMBL
CHEMBL1533495
ChEBI
CHEBI:173463
UNII
3UA92692HG
EC Number
203-311-1、803-728-4
Nikkaji
J5.045H

物性

構造計算による物性

XLogP
1.2
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
4
重原子数
8
形式電荷
0
複雑度
62.1

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
LogP · 2 件

log Kow= 1.21

1.21

Odor · 2 件

Pleasant ethereal odor

Mild odor

Density · 4 件

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

0.9752 @ 20 °C/4 °C

Relative density (water = 1): 0.98

0.9752 @ 20°C

Flavoring AgentsEU Flavoring substances
Color/FormColorless liquid
Solubility · 5 件

Insoluble (NTP, 1992)

Soluble in ehtyl ether, ethanol, and chloroform

Miscible with ketones, esters, aromatic hydrocarbons, some aliphatic solvents

In water, 1.88X10+4 mg/l @ 20 °C

Solubility in water: none

Flash Point · 3 件

77 °F (NTP, 1992)

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 · 6 件

This chemical does not meet GHS hazard criteria for 2.9% (12 of 412) of reports.

Warning

H226 (97.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 412 reports by companies from 13 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 · 5 件

Chemical: Carbonic acid, diethyl ester

Carbonic acid, diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonic acid, diethyl 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: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14116

Carbonic acid, diethyl ester: HSNO Approval: HSR001081 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 3 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Flammable. Above 25 °C explosive vapour/air mixtures may be formed. Risk of fire and explosion on contact with strong oxidizing agents.

Fire Potential... DANGEROUS ... WHEN EXPOSED TO HEAT OR FLAME

化学と産業

用途と製造

Uses · 4 件

Used as a solvent (nitrocellulose, cellulose ethers, and resins) and for organic synthesis; [HSDB]

Solvent for nitrocellulose; mfr radio tubes; fixing rare earths to cathode elements

Solvent for cellulose ethers, many synthetic and natural resins

CHEM INT FOR PHARMACEUTICALS (EG PHENOBARBITAL); CHEM INT FOR ORG COMPD

U.S. Production · 3 件

2023: 1,000,000 - <5,000,000 lb

(1972) PROBABLY GREATER THAN 9.08X10+5 GRAMS

(1975) PROBABLY GREATER THAN 9.08X10+5 GRAMS

Consumer UsesConductive agent
Industry UsesIntermediate
Methods of Manufacturing · 3 件

REACTION OF PHOSGENE AND ETHYL ALCOHOL TO PRODUCE ETHYL CHLOROCARBONATE FOLLOWED BY REACTION WITH ANHYDROUS ETHYLALCOHOL AT ELEVATED TEMPERATURES

Prepn: Palomaa et al, Ber 72, 313 (1939). Mfr: Mador, Blackham, US patent 3,114,762 (1963 to Natl Distillers and Chem).

Steps in its mfr are: (a) reacting chlorine and carbon monoxide to produce (COCl2); (b) reacting phosgene with ethyl alc to make ethyl chlorocarbonate (ClCO2C2H5); (c) reacting ethyl chlorocarbonate with anhyd ethyl alc to produce diethyl carbonate.

Formulations/PreparationsGrade: technical
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Carbonic acid, diethyl ester: ACTIVE

サプライヤー1 社

CHEMSTEP[email protected]

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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

25 °C (CLOSED CUP)

25 °C c.c.

Boiling Point · 4 件

259 °F at 760 mmHg (NTP, 1992)

126 °C

126 °C

126 °C @760 [mm Hg]

DecompositionWhen heated to decomposition it emits acrid smoke and fumes.
Health Hazards · 2 件

High vapor concentrations can cause headache, irritation of eyes and respiratory tract, dizziness, nausea, weakness, loss of consciousness. (USCG, 1999)

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards SummaryA dangerous fire risk; [Hawley] An eye and respiratory tract irritant; [ICSC] High concentrations can cause eye and respiratory tract irritation and loss of consciousness; [CAMEO] An irritant; [MSDSonline]
DOT ID and Guide2366 128
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

DIETHYL CARBONATE reacts with acids to liberate heat along with ethanol and carbon dioxide. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.

Chemical DangersReacts violently with strong oxidants. This generates fire and explosion hazard. Attacks many plastics and resins.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Use AFFF, alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Rest.

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Safe StorageFireproof. Separated from strong oxidants. Cool. Well closed.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 件

... FOAM, CARBON DIOXIDE, DRY CHEMICAL

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
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.

Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Preventive Measures · 2 件

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.

Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Immediate precautionary measure

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 100(SRC), determined from a log Kow of 1.21(2) and a regression-derived equation(3), indicates that diethyl carbonate is expected to have high mobility in soil(SRC). Volatilization of diethyl carbonate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 8.9X10-5 atm-cu m/mole(SRC), calculated from a vapor pressure of 10.8 mm Hg(4) and water solubility of 18,800 mg/l(5). Diethyl carbonate may volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Although no biodegradation data for diethyl carbonate was located, chemically similar short alkyl chain esters have been shown to biodegrade(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 100(SRC), determined from a log Kow of 1.21(2) and a regression-derived equation(3), indicates that diethyl carbonate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected to be an important fate process(3) based upon an estimated Henry's Law constant of 8.9X10-5 atm-cu m/mole(SRC), calculated from a vapor pressure of 10.8 mm Hg(4) and water solubility of 18,800 mg/l(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 8 hours and 8 days, respectively(SRC). Diethyl carbonate may undergo hydrolysis in water since esters are susceptible to hydrolysis(3). Although no biodegradation data for diethyl carbonate was located, chemically similar short alkyl chain esters have been shown to biodegrade(6). According to a classification scheme(7), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diethyl carbonate, which has a vapor pressure of 10.8 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diethyl carbonate 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 5 days(SRC), calculated from its estimated rate constant of 3.3X10-12 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Diethyl carbonate may also undergo direct photolysis in the environment since this compound contains a functional group that can absorb light greater than 290 nm(4).

Food Survey ValuesDiethyl carbonate was detected in wines from Napa Valley, CA at concns of 0.055-0.209 mg/l(1).
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 2 件

Cough. Nausea. Sore throat.

Redness. Pain.

Effluent ConcentrationsDiethyl carbonate was identified, not quantified, in the emissions of different types of furniture coatings(1).
ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Soil Adsorption/Mobility · 1 件

The Koc of diethyl carbonate is estimated as 100(SRC), using a log Kow of 1.21(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl carbonate is expected to have high mobility in soil(SRC).

Human Toxicity Excerpts · 2 件

MODERATELY TOXIC BY INGESTION & INHALATION; STRONG IRRITANT.

Mildly toxic by subcutaneous route. Questionable carcinogen with experimental tumorigenic and teratogenic data.

Artificial Pollution SourcesDiethyl carbonate's production and use as a solvent for nitrocellulose ethers and many synthetic and natural resins(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAlthough no biodegradation data for diethyl carbonate were located, chemically similar short alkyl chain esters have been shown to biodegrade(1).
Environmental Bioconcentration · 1 件

An estimated BCF of 2 was calculated for diethyl carbonate(SRC), using a log Kow of 1.21(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).