홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

디메톡시메탄

Dimethoxymethane

HCID 8020
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
109-87-5
표준 SMILES
COCOC
InChIKey
NKDDWNXOKDWJAK-UHFFFAOYSA-N
분자식
C3H8O2
평균 분자량
76.09 g/mol
단동위원소 질량
76.0524295

개요

Methylal appears as a clear colorless liquid with a chloroform-like odor. Flash point 0 °F. Boiling point 42.3 °C. Density 0.864 g / cm3 at 68 °F (20 °C). Vapors heavier than air.

이름 및 식별자

우선 이름
Dimethoxymethane
IUPAC
dimethoxymethane
현지명
디메톡시메탄
영어명
Dimethoxymethane
분자식
C3H8O2
분자량
76.09

이름 및 동의어

Dimethoxymethane109-87-5METHYLALFormalMethane, dimethoxy-Formaldehyde dimethyl acetalDimethyl formalAnesthenyl2,4-DioxapentaneMethylene dimethyl etherBis(methoxy)methaneMethoxymethyl methyl ether
이름 더 보기
디메톡시메탄메틸알다이메톡시메탄2,4-다이옥사펜테인다이메톡시메테인비스(메톡시)메테인포름알데하이드 다이메틸 아세탈포말폼알데하이드 다이메틸 아세탈폼알데하이드 다이메틸아세탈1,1-DIMETHOXYMETHANEMethylaMethyl formalDIMETHYLFORMALFORMALDEHYDE DIMETHYLmethanal,dimethylacetal
Formaldehyde methyl ketalMetylalFormaldehyde dimethylacetal7H1M4G2NUEDTXSID1025564CHEBI:48341RefChem:134194DTXCID905564

데이터베이스 식별자

CAS
109-87-5
PubChem CID
8020
DTXSID
DTXSID1025564
ChEMBL
CHEMBL15537
ChEBI
CHEBI:48341
UNII
7H1M4G2NUE
EC Number
203-714-2
Nikkaji
J3.250F

물성

구조 계산 물성보충 중

XLogP
0.2
극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
5
형식 전하
0
복잡도
12.4

실험 및 물리화학적 성질

Chemical Classes · 3건

Other Classes -> Acetals

Flammable agents - 3rd degree

Volatile Organic Compound (VOC)

CosmeticsSolvent
SpringerMaterials PropertiesSchoenflies notation
LogP · 2건

log Kow= 0.0

0.18

Odor · 2건

CHLOROFORM ODOR

Chloroform-like odor.

TastePUNGENT TASTE
Density · 6건

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

0.8593 @ 20 °C/4 °C

0.86 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.7

0.86

0.8593 @ 20°C

Flavoring AgentsEU Flavoring substances
Color/Form · 2건

COLORLESS, CLEAR LIQUID

Colorless solid.

Solubility · 6건

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.2% (5 of 433) of reports.

Danger

H225 (98.8%): 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 433 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 6건

Chemical: Methane, dimethoxy-

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

Methane, dimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, dimethoxy- 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: 27-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5159

Methane, dimethoxy-: HSNO Approval: HSR001047 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 · 3건

FLAMMABLE. Irritating gases may be produced when heated. Containers may explode in fire. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. Irritating formaldehyde gas may be present in smoke. (USCG, 1999)

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

Highly flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with strong oxidizing agents or strong bases.

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Methylal (dimethoxymethane) ... was metabolised by rats to methanol and dimethyl ether in equimolar ratio, regardless of the route of administration. Symptoms of methylal poisoning and the typical damage to the retina and optic nerve are the same as those seen in methanol poisoning. Inhalation experiments showed that the blood methanol concentration is proportional to the concentration of methylal in the air.

용도 및 제조

Uses · 6건

Used as a solvent for adhesives and coatings, a fuel, and an intermediate for other organic compounds; [ACGIH] Has been used as an anesthetic; [HSDB]

Painting (Solvents) [Category: Paint]

IN PERFUMERY; MFR ARTIFICIAL RESINS; REACTION MEDIUM FOR GRIGNARD & REPPE REACTIONS

EXTERNALLY AS OINTMENT AND INTERNALLY AS AN ANAESTHETIC AND HYPNOTIC

SPECIAL PURPOSES FUEL; SOLVENT FOR ADHESIVES & COATINGS; IN ORG SYNTHESES

In methacrylate mfg

U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesSolvent
Industry UsesIntermediate
Methods of Manufacturing... BY CATALYTIC VAPOR-PHASE OXIDN OF METHANOL IN PRESENCE OF SMALL AMT OF HYDROCHLORIC ACID; FROM METHANOL & FORMALDEHYDE. FROM PARAFORMALDEHYDE + METHANOL IN PRESENCE OF CALCIUM CHLORIDE + HYDROCHLORIC ACID.
Household ProductsInformation on 10 consumer products that contain Dimethoxymethane in the following categories is provided:
Use ClassificationCosmetics -> Solvent
General Manufacturing Information · 2건

관련 반응

182건
반응 기록 만들기
HRID 1455 반응식
HRID 1455반응물로uspto-grants-1998_03
HRID 18437 반응식
HRID 18437용매로uspto-grants-2010_06
HRID 21512 반응식
HRID 21512반응물로uspto-grants-1995_06
HRID 24289 반응식
HRID 24289반응물로uspto-grants-2005_02
HRID 25918 반응식
HRID 25918반응물로uspto-grants-1979_04
HRID 49005 반응식
HRID 49005반응물로uspto-grants-2004_03
HRID 67054 반응식
HRID 67054반응물로uspto-grants-1982_08
HRID 89508 반응식
HRID 89508반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
1 / 23 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기

33 % (NIOSH, 2024)

MISCIBLE WITH ALCOHOL, ETHER, OILS; SOL IN 3 PARTS WATER

SOL IN ALL ACETONE, AND BENZENE

Water solubility: 330,000 mg/l

Solubility in water, g/100ml at 20 °C: 28.5 (good)

33%

Flash Point · 6건

0 °F (USCG, 1999)

-32 °C

-26 °F (-32 °C) (OPEN CUP)

-31 °C c.c.

-26 °F (open cup)

(oc) -26 °F

Boiling Point · 6건

108 °F at 760 mmHg (USCG, 1999)

41.6 °C @ 760 MM HG

42 °C

111 °F

42 °C @760 [mm Hg]

111 °F

물리화학적 성질

녹는점
-105 °C · -105 °C
끓는 점
41 · 41-43 °C
밀도
0.86 g/mL · 0.860 g/mL at 20 °C(lit.)
증기 밀도
2.6 · 2.6 (vs air)
증기압
6.38 psi · 6.38 psi ( 20 °C)
굴절률
20 · n20/D 1.354
인화점
-18 °C · -18 °C
저장 조건
20 °C · Store at <= 20°C.
용해도
32.3 g/100mL · 32.3g/100mL(16°C)
물리적 상태
액체
산도 계수 (pKa)
3.1 · 3.1[at 20 ℃]
색상
무색의
냄새
온화하고 천상의 느낌; 클로로포름 같은.
수소이온지수(pH)
pH (12.5vol % , 25℃) : 4.5~6.6
폭발한계
1.6 · 1.6-17.6%(V)
수용성
32.3 g/100 · 32.3 g/100 mL (16 ºC)
비열
2.13 J/ · Cp(liquid): 2.13 J/(g·K), at 25℃
Merck
14 · 14,6012
BRN
1697025 · 1697025
Henry's Law Constant
(x 10-4 atmm3/mol): 1.73 at 25 °C (Hine and Mookerjee, 1975)
Dielectric constant
2.7 · 2.7(20℃)
안정성
안정적인. 가연성이 매우 높습니다. 공기와 쉽게 폭발성 혼합물을 형성합니다. 낮은 인화점과 넓은 폭발 한계에 유의하십시오. 강한 산화제, 강산과 호환되지 않습니다. 공기에 노출되면 폭발성 과산화물을 형성할 수 있습니다.
화장품 원료 기능
용제
InChI
1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3
InChIKey
NKDDWNXOKDWJAK-UHFFFAOYSA-N
SMILES
COCOC
LogP
0 · 0
NIST
Methane, dimethoxy-(109-87-5)
EPA
Dimethoxymethane (109-87-5)
화학적 성질 · 1건

Dimethoxymethane, also called methylal, is a colorless flammable liquid with a low boiling point, low viscosity and excellent dissolving power. It is stable in the presence of alkalis and mild acids, and to high temperatures and pressures. It differs from other ethers in that it forms only minute omounts of peroxides. It will dissolve such synthetic resins as nitrocellulose, cellulose acetate and propionate, ethyl cellulose, vinyl, "Epons" and polystyrene, and also many of the natural gums and waxes. Methylal as a latent solvent is activated by the addition of esters, ketones or alcohols. Its evaporation rate, twice that of acetone, places this ether in a class with such solvents as acetone, methyl acetate and ethyl acetate in resin formulations.

Fire PotentialDANGEROUS, WHEN EXPOSED TO HEAT, FLAME, OXIDIZERS
Health Hazards · 2건

VAPOR: Irritating to eyes, nose and throat. Harmful if inhaled. LIQUID: Irritating to skin and eyes. Harmful if swallowed. (USCG, 1999)

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

Hazards SummaryAnimal inhalation studies: anesthesia and damage to the liver and other organs; [ACGIH] A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; [ICSC]
DOT ID and Guide · 2건

1234 127

1234 127

Reactive GroupAcetals, Ketals, Hemiacetals, and Hemiketals
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
TSCA Requirements · 1건

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. Methane, dimethoxy- is included on this list.

Reactivity AlertsHighly Flammable
OSHA Standards8 hr Time-Weighted avg: 1,000 ppm (3,100 mg/cu m)

안전 및 보호

Fire Fighting · 2건

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

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

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.

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

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

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 · 3건

Excerpt from NIOSH Pocket Guide for Methylal:

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants and strong bases. Cool. Keep in the dark. Well closed. Store only if stabilized. Store in an area without drain or sewer access.
Exposure Control and Personal Protection · 2건

· Wear positive pressure self-contained breathing apparatus (SCBA).

500.0 [ppm]

Fire Fighting Procedures · 2건

TO FIGHT FIRE: FOAM, CARBON DIOXIDE, DRY CHEMICAL ...

Water may be ineffective. Alcohol foam.

Cleanup Methods · 1건

1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME TO COMPLETELY CLEAR HOOD DUCTWORK. BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS. 3. LARGE QUANTITIES CAN BE COLLECTED, DISSOLVED IN ALC OF GREATER MOLECULAR WT THAN BUTYL ALC, & ATOMIZED IN SUITABLE COMBUSTION CHAMBER. METHYLAL SHOULD NOT BE ALLOWED TO ENTER CONFINED SPACE, SUCH AS SEWER, BECAUSE OF THE POSSIBILITY OF AN EXPLOSION.

Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Disposal Methods... MAY BE DISPOSED OF BY DISSOLVING IN ALCOHOL OF GREATER MOLECULAR WEIGHT THAN BUTYL ALCOHOL & ATOMIZING IN SUITABLE COMBUSTION CHAMBER.
Spillage Disposal · 1건

Consult an expert! Personal protection: filter respirator for organic vapours of low boiling point adapted to the airborne concentration of the substance. Remove all ignition sources. Cover the spilled material with sand or other non-combustible material. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Preventive Measures · 5건

SRP: The scientific literature supports the wearing of contact lenses in industrial environments, as part of a program to protect the eye against chemical compounds and minerals causing eye irritation. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases contact lenses should not be worn.

SAFE-HANDLING PRECAUTIONS SHOULD INCL USE OF ADEQUATE VENTILATION TO BE CERTAIN THAT AVG CONCN ARE WELL BELOW 1000 PPM, & AVOIDANCE OF EXCESSIVE OR PROLONGED SKIN CONTACT. METHYLAL SHOULD BE HANDLED WITH DUE REGARD FOR ITS FLAMMABLE PROPERTIES.

To prevent injury from occurring as a result of contact with an aldehyde in the form of liquid or vapor, the process in which the substance is present should, if possible be conducted in enclosed plant. If openings are necessary for the purposes of manipulation, vapor should be prevented from escaping into the workroom by the application of exhaust ventilation to the plant or enclosure. When the process cannot be enclosed, exhaust ventilation hoods should be fitted to trap and extract escaping vapor before it can diffuse into the workroom atmosphere. /Aldehydes and ketals/

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet should be immediately removed due to its flammability hazard.

독성 정보

Body Burden · 1건

In the EPA National Human Adipose Survey for fiscal year 1982, 46 composite samples categorized broadly by region and age group were analyzed for pollutants(1). Methylal was identified in one sample from the northeast US in the >45 age group.

Target OrgansEyes, skin, respiratory system, central nervous system
Environmental Fate · 3건

TERRESTRIAL FATE: If released on land, methylal would volatilize rapidly due to its high vapor pressure and Henry's Law constant and low adsorptivity to soil. It would also exhibit high mobility in soil. The importance of biodegradation in soil is unknown. (SRC)

AQUATIC FATE: If released to water, methylal will be primarily lost through volatilization. Its half-life in a model river is estimated from a calculated Henry's Law constant to be 7.2 hr(1-3). Adsorption to sediment and particulate matter in the water column, and bioconcentration should not be important. The importance of biodegradation in water is unknown. Hydrolysis is fairly slow(SRC).

ATMOSPHERIC FATE: The atmosphere is the sink for methylal. In the atmosphere, methylal will degrade by reaction with photochemically-produced hydroxyl radicals. The half-life for this reaction is estimated to be 2.3 days(1). Methylal is highly soluble in water, 2.44X10+5 ppm(2), and would be washed out by rain. However, methylal thus remove would be recycled back into the atmosphere. (SRC)

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2건

The substance can be absorbed into the body by inhalation of its vapour.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5건

Cough. Dizziness. Drowsiness. Headache. Sore throat. Unconsciousness.

Dry skin.

Redness. Pain.

Abdominal pain. Nausea. Vomiting. Further see Inhalation.

irritation eyes, skin, upper respiratory system; anesthesia

Effluent Concentrations · 1건

In a comprehensive survey of wastewater from 4000 industrial and publicly owned treatment works (POTWs) sponsored by the Effluent Guidelines Division of the U.S. EPA, methylal was identified in discharges of the following industrial category (positive occurrences; median concn in ppb): leather tanning (1; 1637.5), plastics and synthetics (3; 30.8), organic chemicals (6; 45.6), publicly owned treatment works (3; 5.0)(1). The highest effluent concn was 1637 ppb in the leather tanning industry(1). Detected in effluent concentrates from the advanced treatment plant in Orange County, CA, but not in that of five other communities(2).

ICSC Environmental DataEnvironmental effects of the substance have been adequately investigated, but no significant effects have been found.
Soil Adsorption/MobilityThe Koc for methylal estimated from its water solubility, 2.44X10+5 ppm(1), by a recommended regression equation is 5(2). Therefore methylal would be very mobile in soil(3).
Human Toxicity Excerpts · 2건

... PROPERTIES OF SIMPLE UNSUBSTITUTED ACETALS ARE CHARACTERIZED BY ETHER-LIKE ANESTHETIC ACTION, & BY RELATIVELY LOW DEGREE OF PRIMARY IRRITATION COMPARED TO PARENT ALDEHYDE. /ACETALS/

INHALATION CAUSES IRRITATION OF RESP SYSTEM & DEPRESSION OF CNS. LIQ CAUSES IRRITATION OF EYES & WILL IRRITATE SKIN IF ALLOWED TO REMAIN.

Artificial Pollution Sources · 2건

Methylal used as a solvent and reagent in organic synthesis(2) may be released to the environment in waste water and as fugitive emissions relating to its manufacture and use. Mean vapor emission rates of methylal measured at two locations at an industrial waste water treatment facility in December were 28.6 and 14.7 mg/min sq-m, at which time the ambient and liquid surface temperatures were 6 and 15 °C, respectively(1).

METHYLAL WAS ONE OF THE COMPONENTS IN WASTE WATER FROM A UREA-FORMALDEHYDE GLUE PLANT.

Environmental Biodegradation · 1건

A reduction in BOD in 8 hr was obtained in one study in which well acclimated sewage seed was incubated with 333 ppm of methylal(1). However this reduction was small compared with the theoretical oxygen demand and toxicity resulted in an initial increase in BOD.

규제 정보

TSCA Requirements · 1건

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. Methane, dimethoxy- is included on this list.

안전 데이터

OEB
A
OEL
TWA: 1000 ppm (3100 mg/m3)
wgk
1
IDLA
2,200 ppm [10% LEL]
tsca
TSCA listed
rtecs
PA8750000
ridadr
UN 1234
독성
LD50 orally in Rabbit: 6653 mg/kg
HS 번호
2911 00 00
risk_code
11-19-36-36/37/38
hazard_code
F,Xi
safety_code
16-26-33-7/9-37/39
포장분류
II
위험 등급
3
기존화학 물질
KE-11074
F 고인화성물질
21
자연 발화 온도
459 °F
Hazard Classifications
Flam. Liq. 2
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
109-87-5(Hazardous Substances Data)

Plastics Material and Resin Manufacturing

Methane, dimethoxy-: ACTIVE

응용 분야 · 2건

용도Dimethoxymethane (Methylal) is a valuable extraction solvent for pharmaceutical products and a stable, inexpensive solvent for Grignard reactions. Methylal is stable under alkaline and mild acidic conditions. Its dissolving ability is stronger than ether, acetone, and methanol and azeotrope can dissolve nitrocellulose with high nitrogen content. Dimethoxymethane is mainly used in the production of anion-exchange resins, and also as solvents and special fuels.

일반 설명Dimethoxymethane (DMM, methylal) is a biodegradable dimethyl acetal. It can be synthesized by acid catalyzed condensation of formaldehyde with methanol. It is amphiphilic in nature with low viscosity, surface tension and boiling point. It is a flammable, highly volatile solvent with good dissolving power. DMM is considered as a potential alternative fuel and fuel additive due to its high oxygen content and its ability to enhance the combustion characteristics of diesel and petrol. Its thermal diffusivity has been determined by photoacoustic method. Analysis of the molecular structure of DMM by electron diffraction technique shows that it has C2 symmetry with a gauche-gauche conformation.

상·하류 제품 정보

상류 원료

과산화 수소나트륨Para-포름알데하이드글리신메틸알콜포름산메틸1-Propene, 2-chloro-3,3-dimethoxy-메톡시메탄올

하류 제품

Dirithromycin아세타미프리드포르말린2-하이드록시-5-니트로벤질브로마이드1,3-Dithiane1-PHENYL-2-PROPYN-1-OL글리세롤폼알디메틸설피트2,3-디히드로티오펜사이클로헥세인, 1,1-다이메톡시-이소프로필(4-)벤질클로라이드7-AMCA4-(Chloromethyl)biphenyl6-메틸렌안드로스트-4-엔-3,17-디온(METHOXYMETHYL)DIPHENYLPHOSPHINE OXIDE

추가 설명

정의ChEBI: Dimethoxymethane is an acetal that is the dimethyl acetal derivative of formaldehyde. It is an acetal and a diether. It derives from a methanediol.