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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 191
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Esters, Other
Flammable agents - 2nd degree
Density
1.051 @ 20 °C/20 °C
1.051 @ 20°C
Boiling Point
375.8 °F at 760 mmHg (EPA, 1998)
191 °C @760 [mm Hg]
Physical Description
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
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 물리적 상태
- 액체
- EPA
- Methacrolein diacetate (10476-95-6)
화학적 성질
Liquid.Slightly soluble in water. Combustible.
안전 및 규제
GHS 분류
GHS Classification
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
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.)
Hazards Summary
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]
Reactivity Profile
METHACROLEIN DIACETATE reacts exothermically with acids. Strong oxidizing acids may cause a reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated with basic solutions. Flammable hydrogen may be generated by mixing with alkali metals and hydrides. Reacts readily with mercaptans. Acidic conditions favor breakdown to methacrolein, which is subject to possibly vigorous polymerization.
CERCLA Reportable Quantities
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.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Flammable agents - 2nd degree
안전 및 보호
Disposal Methods
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.
Protective Action Criteria (PAC)
0.040 [ppm]
0.44 [ppm]
2.7 [ppm]
Personal Protective Equipment (PPE)
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
독성 정보
Non-Human Toxicity Excerpts
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.
규제 정보
CERCLA Reportable Quantities
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
- hazard_code
- T+
- safety_code
- 23-26-27-36/37/39-45
- 포장분류
- II
- 위험 등급
- 6.1(a)
- 기존화학 물질
- KE-24903
- F 고인화성물질
- 9-21
- 유해 물질 데이터
- 10476-95-6(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Methods of Manufacturing
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/
응용 분야
용도Chemical intermediate, can provide controlled release of methacrolein in acid solution.
일반 설명A liquid. Density 1.04 g / cm3; highly toxic.
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