메타크롤레인 디아세트산

Methacrolein diacetate

HCID 25305CAS 10476-95-6

기본 정보

표준 SMILES
C=C(C)C(OC(C)=O)OC(C)=O
InChIKey
QFXJBPCTHSTOPE-UHFFFAOYSA-N
분자식
C8H12O4
평균 분자량
172.18 g/mol
단동위원소 질량
172.07355886

개요

Methacrolein diacetate appears as a liquid. Density 1.04 g / cm3; highly toxic.

이름 및 식별자

우선 이름
Methacrolein diacetate
IUPAC
(1-acetyloxy-2-methylprop-2-enyl) acetate
현지명
메타크롤레인 디아세트산
영어명
2-Methyl-2-propene-1,1-diol diacetate
분자식
C8H12O4
분자량
172.18

이름 및 동의어

METHACROLEIN DIACETATE2-Methyl-2-propene-1,1-diol diacetate2-Methylallylidene diacetateMethyl allylidene diacetateMethallylidene diacetate2-Propene-1,1-diol, 2-methyl-, diacetate3,3-diacetoxy-2-methylpropeneHSDB 6443Acetic acid, 2-methyl-2-propene-1,1-diol diesterUNII-VQ6QDI298V3,3-Diacetoxy-2-methyl-1-propeneEINECS 233-974-2
이름 더 보기
메타크롤레인디아세트산메타크롤레인디아세트산2-메틸-2-프로펜-1,1-디올디아세테이트2-methylprop-2-ene-1,1-diyl diacetatemethacroleindiacetate2-methylallyl diacetate2-MethylacroleindiacetateMETHACROLEIN DIACETYLACETAL2-methyl-2-propene-1,1-diol
VQ6QDI298VNSC 46577BRN 1775081NSC-46577DTXSID708642772-Propene-1,1-diol, 2-methyl-, 1,1-diacetate4-02-00-00292 (Beilstein Handbook Reference)METHACROLEIN DIACETATE [HSDB]

데이터베이스 식별자

CAS
10476-95-6
PubChem CID
25305
DTXSID
DTXSID70864277
UNII
VQ6QDI298V
EC Number
233-974-2
Nikkaji
J35.492I

물성

구조 계산 물성

XLogP
1.4
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Esters, Other

Flammable agents - 2nd degree

Density · 2건

1.051 @ 20 °C/20 °C

1.051 @ 20°C

Flash Point215 °C (open cup)
Boiling Point · 2건

375.8 °F at 760 mmHg (EPA, 1998)

191 °C @760 [mm Hg]

Vapor Pressure0.35 [mm Hg] @25 °C
Physical Description · 2건

Methacrolein diacetate appears as a liquid. Density 1.04 g / cm3; highly toxic.

Liquid; [CAMEO] Clear faintly yellow liquid; [MSDSonline]

물리화학적 성질

녹는점
15 °C · −15 °C(lit.)
끓는 점
191 °C · 191 °C(lit.)
밀도
1.039 g/mL · 1.039 g/mL at 25 °C(lit.)
증기압
760 mm · 760 mm Hg ( 191 °C)
굴절률
20 · n20/D 1.424(lit.)
인화점
182 °F · 182 °F

화학적 성질

Liquid.Slightly soluble in water. Combustible.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Propene-1,1-diol, 2-methyl-, diacetate

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 LabelPoison
Fire HazardsWhen heated to decomposition, it emits acrid smoke and irritating fumes. (EPA, 1998)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1건

Causes ataxia and convulsions in lethal-dose intraperitoneal studies of rats; [RTECS] A skin, eye, and respiratory tract irritant; External application to rabbit eyes scored 9 on a scale of 1-10 (10 being most severe); Animal studies indicate skin absorption, irritation, and burns; [HSDB] Very toxic; [CAMEO] A severe irritant that can cause permanent injuries in high concentrations; Can be absorbed through skin; May be fatal by inhalation, skin absorption, or ingestion; [MSDSonline]

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidNote: No information on specific clinical effects of exposure was available.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal Methods · 1건

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.

Preventive MeasuresWhen handling this material special precautions should be taken to prevent eye & skin contact & inhalation of vapor.
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity Excerpts · 1건

Rabbit eye studies showed the material to cause severe irritation & corneal injury, being rated 9 on a scale of 10. It is markedly irritating to the skin & can cause a burn, but greater hazard is that of skin absorption ... It is hazardous from inhalation also. All rats exposed for 1 hr to essentially saturated vapors died, & five of six rats exposed to 63.5 ppm for 4 hr died.

Toxicity DataLCLo (rat) = 62 ppm/4h

규제 정보

CERCLA Reportable Quantities · 1건

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Methacrolein diacetate is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 1,000 lbs.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
UC9800000
ridadr
UN 2810 6.1/PG 1
독성
LD50 orl-rat: 440 mg/kg AIHAAP 30,470,69
risk_code
26/27/28

화학 및 산업

용도 및 제조

Methods of Manufacturing · 1건

The common esters & diesters of the common polyols are prepared commercially by esterifying the particular polyol with the acid, acid anhydride, or acid chloride of choice in presence of a catalyst. Mono- or diesters result, depending upon the proportions of each reactant employed. /Esters, diesters, & ether--esters of glycols/

General Manufacturing Information2-Propene-1,1-diol, 2-methyl-, 1,1-diacetate: ACTIVE

응용 분야

용도Chemical intermediate, can provide controlled release of methacrolein in acid solution.

일반 설명A liquid. Density 1.04 g / cm3; highly toxic.

관련 반응

12건

연결된 노트

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