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메틸알릴 알코올

Methallyl alcohol

HCID 10557
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
513-42-8
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

METHALLYL ALCOHOL513-42-82-Methylprop-2-en-1-ol2-Methylallyl alcoholIsopropenyl carbinol2-Propen-1-ol, 2-methyl-beta-Methallyl alcoholMethacryl alcohol3-Hydroxy-2-methylpropenebeta-Methylallyl alcohol2-Methyl-2-propenolH2T2UK4JAP
이름 더 보기
메탈릴알콜메틸알릴알코올메틸알릴 알코올β-Methallyl Alcoholmethacrylalcohol2-METHYL-2-PROPENE-1-OL'ISOBUTENOL'
NSC-30674DTXSID4060155RefChem:156850DTXCID7040998208-161-02-Methyl-2-propen-1-olMFCD00004737NSC 30674

데이터베이스 식별자

CAS
513-42-8
PubChem CID
10557
DTXSID
DTXSID4060155
UNII
H2T2UK4JAP
EC Number
208-161-0
Nikkaji
J3.640D

물성

구조 계산 물성보충 중

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

Chemical ClassesFlammable agents - 3rd degree
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesCoriolis coupling
Density0.8515 at 68 °F (USCG, 1999) - Less dense than water; will float
Flash Point92 °F (USCG, 1999)
Boiling Point239 °F at 760 mmHg (USCG, 1999)
Physical Description · 2건

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.)

안전 및 규제

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

GHS 분류

GHS Classification · 5건

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 · 4건

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.)

DOT LabelFlammable Liquid
Fire Hazards · 2건

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 · 2건

Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1건

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]

화학 및 산업

용도 및 제조

UsesUsed in the chemical industry; [CAMEO]
General Manufacturing Information2-Propen-1-ol, 2-methyl-: ACTIVE

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 · 1건

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.

상·하류 제품 정보

상류 원료

메탈릴클로라이드수산화나트륨

하류 제품

DE-62-메탈릴 아세트산

관련 반응

79건
반응 기록 만들기
HRID 52647 반응식
HRID 52647반응물로uspto-grants-1997_04
HRID 58941 반응식
HRID 58941반응물로uspto-grants-2016_09
HRID 61337 반응식
HRID 61337반응물로uspto-grants-2016_09
HRID 65456 반응식
HRID 65456반응물로uspto-grants-1986_09
HRID 72927 반응식
HRID 72927반응물로uspto-grants-2014_09
HRID 131949 반응식
HRID 131949반응물로uspto-grants-2008_06
HRID 233599 반응식
HRID 233599반응물로uspto-grants-1997_01
HRID 234250 반응식
HRID 234250반응물로uspto-grants-1997_01
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화합물 노트

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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

DOT ID and Guide2614 129
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity ProfileMETHALLYL ALCOHOL may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.
DOT Hazard Classification · 4건

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

Air and Water ReactionsHighly flammable and soluble in water.
Hazard Classes and Categories · 2건

Flam. Liq. 3 (95.6%)

Flammable agents - 3rd degree

안전 및 보호

Fire FightingFire Extinguishing Agents Not to Be Used: Water.
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

Get medical attention.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
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.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (mouse) = 2,924 ppm/4hr

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