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다이에톡시메테인

Diethoxymethane

HCID 10024
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
462-95-3
표준 SMILES
CCOCOCC
InChIKey
KLKFAASOGCDTDT-UHFFFAOYSA-N
분자식
C5H12O2
평균 분자량
104.15 g/mol
단동위원소 질량
104.08372962

개요

Diethoxymethane appears as a colorless volatile liquid with an agreeable odor. Less dense than water. Vapors heavier than air. May be narcotic in high concentrations. Used as a solvent and in the manufacture of cosmetics.

이름 및 식별자

우선 이름
Diethoxymethane
IUPAC
ethoxymethoxyethane
현지명
다이에톡시메테인
영어명
Diethoxymethane
분자식
C5H12O2
분자량
104.15

이름 및 동의어

Diethoxymethane462-95-3Diethoxy methaneEthylalFormaldehyde diethyl acetalDiethylformalMethane, diethoxy-Ethoxymethyl ethyl ether1,1-DIETHOXYMETHANE3,5-DioxahepteneEthane, 1,1'-[methylenebis(oxy)]bis-3,5-Dioxaheptane
이름 더 보기
다이에톡시메테인다이에톡시메테인(DIETHOXYMETHANE)에틸알diethoxy-methanEthoxymethoxy-ethaneEthylal >DIETHYLFORMALDiethyl methylal
NSC 6754CCRIS 6891DTXSID6052112Ethane, 1,1'-(methylenebis(oxy))bis-EINECS 207-330-6UNII-56IT408V5YBRN 1697253AI3-24286

데이터베이스 식별자

CAS
462-95-3
PubChem CID
10024
DTXSID
DTXSID6052112
UNII
56IT408V5Y
EC Number
207-330-6
Nikkaji
J5.772J

물성

구조 계산 물성

XLogP
0.8
극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
7
형식 전하
0
복잡도
25.3

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
LogP0.84
Flavoring AgentsEU Flavoring substances
Physical Description · 2건

Diethoxymethane appears as a colorless volatile liquid with an agreeable odor. Less dense than water. Vapors heavier than air. May be narcotic in high concentrations. Used as a solvent and in the manufacture of cosmetics.

CBI; Liquid

물리화학적 성질

녹는점
-66.5 °C · -66.5 °C
끓는 점
87 · 87-88 °C (lit.)
밀도
0.831 g/mL · 0.831 g/mL at 25 °C (lit.)
증기 밀도
3.6 · 3.6 (vs air)
증기압
60 mm · 60 mm Hg ( 25 °C)
굴절률
20 · n20/D 1.373(lit.)
인화점
22 °F · 22 °F
저장 조건
30 °C · Store below +30°C.
용해도

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 207 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 6건

Chemical: Ethane, 1,1'-[methylenebis(oxy)]bis-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Ethane, 1,1'-[methylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1'-[methylenebis(oxy)]bis- 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: 02-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11805

Diethoxymethane: Does not have an individual approval but may be used under an appropriate group standard

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 · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

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

Health Hazards · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· Inhalation or contact with material may irritate or burn skin and eyes.

화학 및 산업

용도 및 제조

U.S. Production2023: 500,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Ethane, 1,1'-[methylenebis(oxy)]bis-: ACTIVE

응용 분야 · 2건

용도Diethoxymethane (DEM) is offered by Eastman Chemical Company as a cost-effective replacement solvent for monoglyme (1,2- dimethoxyethane) and methylal. The DEM diether is stable under alkaline conditions, but can be cleaved by strong acids. Diethoxymethane can be used as a chemical intermediate in many organic synthesis reactions. Diethoxymethane is useful as a solvent in lithium batteries with nonaqueous electrolytes, as a solvent for polymeric materials, and as a fuel additive. As a chemical intermediate DEM can act as an ethoxymethylating reagent for alcohols and phenols and serve as a source for formaldehyde in organic synthesis.

일반 설명A colorless volatile liquid with an agreeable odor. Less dense than water. Flash point below 10°F. Vapors heavier than air. May be narcotic in high concentrations. Used as a solvent and in the manufacture of cosmetics.

상·하류 제품 정보

상류 원료

염화암페니콜4-Nitroacetophenone에탄, 2- 브로 모 -1- 페닐 -브롬헥사민Propane, 1-(ethoxymethoxy)-

관련 반응

71건
반응 기록 만들기
HRID 1987 반응식
HRID 1987반응물로uspto-grants-1998_03
HRID 170406 반응식
HRID 170406반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 180603 반응식
HRID 180603반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 213012 반응식
HRID 213012반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 213646 반응식
HRID 213646반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 229891 반응식
HRID 229891반응물로uspto-grants-2009_07
HRID 320847 반응식
HRID 320847반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 321785 반응식
HRID 321785반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
91 g/L · 91g/L
물리적 상태
액체
색상
무색의
냄새
Very diffusive, sweet-ethereal odor, somewhat reminiscent of Acetone and Methyl acetate
냄새 유형
Sweet, ethereal, slightly fruity taste. Not very powerful
폭발한계
1.5 % · 1.5%(V)
수용성
4.2 G/100ML · 4.2G/100ML
BRN
1697253 · 1697253
Henry's Law Constant
1.5 · 1.5×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant
2.53 · 2.5299999999999998
안정성
안정적인. 가연성이 높습니다. 강한 산화제, 강산과 호환되지 않습니다.
화장품 원료 기능
용제
InChI
1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
InChIKey
KLKFAASOGCDTDT-UHFFFAOYSA-N
SMILES
CCOCOCC
LogP
0.84 · 0.84
NIST
Diethoxymethane(462-95-3)
EPA
1 · Ethane, 1,1'-[methylenebis(oxy)]bis- (462-95-3)

화학적 성질

colourless liquid

DOT ID and Guide2373 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity ProfileDIETHOXYMETHANE, an acetal, is incompatible with strong oxidizing agents and acids. Breaks down to formaldehyde and ethanol in acidic solutions.
DOT Hazard Classification · 4건

Diethoxymethane

UN2373

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Soluble in water.
Peroxide Forming Chemical · 4건

Diethoxymethane

D: Other compounds that may form peroxides

Kelly

https://cameochemicals.noaa.gov/chemical/3189

Hazard Classes and Categories · 2건

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 3rd degree

안전 및 보호

Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Accidental Release Measures · 2건

· 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 · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
PA8500000
ridadr
UN 2373
독성
LD50 orally in Rabbit: 3536 mg/kg LD50 dermal Rat > 16600 mg/kg
HS 번호
2911 00 00
risk_code
11-36/37/38
hazard_code
F,Xi
safety_code
16-26-36-9-37/39-33
포장분류
II
위험 등급
3
기존화학 물질
KE-23849
F 고인화성물질
3
자연 발화 온도
346 °F
Hazard Classifications
Flam. Liq. 2
스토리지 클래스
3 - Flammable liquids
bis(ethoxymethyl) ether
[(에톡시메틸)티오]에탄
포름알데히드디프로필아세탈
비스(에틸티오)메탄
벤조산에틸에스테르

하류 제품

2-클로로메틸-4-니트로페놀(5-Methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine2-AminopyrimidineAtropine sulfate monohydrate피리딘,3,5-비스(1-메틸에틸)-(9CI)6-메틸렌안드로스트-4-엔-3,17-디온DELTALINECUCURBITURIL에틸에톡시아세테이트α-피콜린