기본 정보
- 표준 SMILES
C=COCC(C)C- InChIKey
OZCMOJQQLBXBKI-UHFFFAOYSA-N- 분자식
- C6H12O
- 평균 분자량
- 100.16 g/mol
- 단동위원소 질량
- 100.088815
개요
Vinyl isobutyl ether appears as a clear colorless liquid. May polymerize if contaminated or subjected to heat. If polymerization take place inside a container, the container may violently rupture. Vapors are heavier than air.
이름 및 식별자
- 우선 이름
- Vinyl isobutyl ether
- IUPAC
- 1-ethenoxy-2-methylpropane
- 현지명
- 이소부틸 비닐 에테르
- 영어명
- Isobutyl vinyl ether
- 분자식
- C6H12O
- 분자량
- 100.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
109-53-5- PubChem CID
- 7992
- DTXSID
DTXSID8029608- ChEMBL
CHEMBL3183612- UNII
- 8HQ2X2D0TM
- EC Number
- 203-678-8
- Nikkaji
- J48.642F
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 48.1
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
Physical Description
Vinyl isobutyl ether appears as a clear colorless liquid. May polymerize if contaminated or subjected to heat. If polymerization take place inside a container, the container may violently rupture. Vapors are heavier than air.
Liquid
Clear colorless liquid; [CAMEO]
물리화학적 성질
- 녹는점
- -112 °C · -112 °C
- 끓는 점
- 83 °C · 83 °C
- 밀도
- 0.769 · 0.769
- 증기 밀도
- 3.45 · 3.45 (vs air)
- 증기압
- 68 mm · 68 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.395(lit.)
- 인화점
- 8 °F · 8 °F
- 저장 조건
- Flammables area
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 0.7 g/L · 0.7g/L(25℃)
- BRN
- 1560159 · 1560159
- Henry's Law Constant
- 3.9 · 3.9×10-3 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010)
- Dielectric constant
- 3.34 · 3.3399999999999999
- InChI
- 1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
- InChIKey
- OZCMOJQQLBXBKI-UHFFFAOYSA-N
- SMILES
- CC(C)COC=C
- LogP
- 3.07 at · 3.07 at 25℃
- NIST
- Vinylisobutyl ether(109-53-5)
- EPA
- 1 · Propane, 1-(ethenyloxy)-2-methyl- (109-53-5)
화학적 성질
Colorless liquid. Very slightly soluble in water; soluble in alcohol and ether; easily polymerized.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.8% (8 of 213) of reports.
Danger
H225 (96.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 213 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Propane, 1-(ethenyloxy)-2-methyl-
Propane, 1-(ethenyloxy)-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1-(ethenyloxy)-2-methyl- 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: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2053
Propane, 1-(ethenyloxy)-2-methyl-: 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
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible); polymerization hazard]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible); polymerization hazard]:
· Inhalation or contact with material may irritate or burn skin and eyes.
Hazards Summary
May polymerize; Forms explosive peroxides on exposure to air; [CAMEO] A skin, eye, nose, and throat irritant; [NJ-HSFS] May form explosive peroxides; An irritant; [Sigma-Aldrich MSDS] Vinyl isobutyl ether, stabilized (UN1304) has warning of explosive polymerization; [ERG 2016]
DOT Hazard Classification
Vinyl isobutyl ether, stabilized
UN1304
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Peroxide Forming Chemical
Isobutyl vinyl ether
B: Compounds that form peroxides on concentration (distillation/evaporation)
Kelly
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
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible); polymerization hazard]:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
20.0 [ppm]
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible); polymerization hazard]:
Immediate precautionary measure
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KO1300000
- ridadr
- UN 1304 (VINYL ISOBUTYL ETHER, STABILIZED)
- 독성
- rabbit,LD50,skin,20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
- HS 번호
- 29091990
- risk_code
- 11-38-52/53
- hazard_code
- F,Xi
- safety_code
- 16-23-24/25-33-37-61
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-21461
- F 고인화성물질
- 9
- Hazard Classifications
- Aquatic Chronic 3Flam. Liq. 2Skin Irrit. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Uses
Used in adhesives, coatings, and lacquers, as a resin modifier, plasticizer, and to make other chemicals; [NJ-HSFS]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propane, 1-(ethenyloxy)-2-methyl-: ACTIVE
응용 분야
용도Isobutyl vinyl ether is use in preparation method and formula of bulk polymerized Chloroether resin.
일반 설명A clear colorless liquid. Flash point 15°F. May polymerize if contaminated or subjected to heat. If polymerization take place inside a container, the container may violently rupture. Vapors are heavier than air.
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