기본 정보
- 표준 SMILES
C=C(C)CO- InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N- 분자식
- C4H8O
- 평균 분자량
- 72.11 g/mol
- 단동위원소 질량
- 72.05751488
개요
Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
이름 및 식별자
- 우선 이름
- Methallyl alcohol
- IUPAC
- 2-methylprop-2-en-1-ol
- 현지명
- 메틸알릴 알코올
- 영어명
- Methallyl alcohol
- 분자식
- C4H8O
- 분자량
- 72.11
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
513-42-8- PubChem CID
- 10557
- DTXSID
DTXSID4060155- UNII
- H2T2UK4JAP
- EC Number
- 208-161-0
- Nikkaji
- J3.640D
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 38.9
실험 및 물리화학적 성질
Physical Description
Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Colorless liquid with a sharp pungent odor; [CAMEO] Clear colorless liquid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- -50 °C · -50 °C
- 끓는 점
- 113 · 113-115 °C(lit.)
- 밀도
- 0.857 g/mL · 0.857 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.426(lit.)
- 인화점
- 92 °F · 92 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 14.49 · 14.49±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- Specific Gravity
- 0.8515 · 0.8515
- 색상
- 무색 내지 거의 무색
- 수용성
- 11 g/100mL · 11g/100mL
- BRN
- 969226 · 969226
- 안정성
- 감광성
- InChI
- 1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
- InChIKey
- BYDRTKVGBRTTIT-UHFFFAOYSA-N
- SMILES
- CC(=C)CO
- NIST
- 2 · 2-Propen-1-ol, 2-methyl-(513-42-8)
- EPA
- Methallyl alcohol (513-42-8)
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.4% (4 of 91) of reports.
Warning
H226 (95.6%): 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 91 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Propen-1-ol, 2-methyl-
Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20768
2-Methylallyl alcohol: 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.)
Fire Hazards
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A skin, eye, nose, and throat irritant; Moderately toxic by ingestion; [CAMEO] A moderate skin irritant; [RTECS] A skin, eye, nose, and throat irritant; Highly irritating to skin (may cause second degree burns following contact for a few minutes); [CHRIS] An irritant; [Aldrich MSDS]
DOT Hazard Classification
Methallyl alcohol
UN2614
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (95.6%)
Flammable agents - 3rd degree
안전 및 보호
Accidental Release Measures
· 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
Get medical attention.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UD5250000
- ridadr
- UN 2614
- HS 번호
- 29052900
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-25285
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도2-Methyl-2-propen-1-ol (MePro) attaches to hemicellulose acetylated galactoglucomannan (AcGGM) backbone providing it with pendant sites that allow subsequent cross-linking and hydrogel formation.
일반 설명A colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
제조 방법
생산 방법Methallyl alcohol is prepared by hydrolysis of methallyl chloride in a 10 wt% aqueous sodium hydroxide solution. Pure methallyl alcohol can be obtained by methanolysis of methallyl acetate in the presence of catalytic amounts of bases. Methallyl alcohol is used in the preparation of polymerizable esters.
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