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부타디엔일산화

Vinyloxirane

HCID 13586
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
930-22-3
표준 SMILES
C=CC1CO1
InChIKey
GXBYFVGCMPJVJX-UHFFFAOYSA-N
분자식
C4H6O
평균 분자량
70.09 g/mol
단동위원소 질량
70.04186481

개요

1,2-epoxy-3-butene is a clear light yellow liquid. (NTP, 1992)

이름 및 식별자

우선 이름
Vinyloxirane
IUPAC
2-ethenyloxirane
현지명
부타디엔일산화
영어명
Butadiene monoxide
분자식
C4H6O
분자량
70.09

이름 및 동의어

Butadiene monoxide930-22-33,4-EPOXY-1-BUTENE2-VinyloxiraneOxirane, ethenyl-1,2-Epoxy-3-buteneVinyloxiraneEthenyloxiraneButadiene monoepoxideButadiene oxideButadiene monooxideVinylethylene oxide
이름 더 보기
부타디엔일산화Vinyl epoxide1,3-Butadiene monooxide
1,2-Epoxybutene-33,4-Epoxybutene1,2-Oxido-3-butene1,3-Butadiene oxide1,2-EpoxybuteneEpoxybuteneMonoepoxybutene1,3-Butadiene monoepoxide

데이터베이스 식별자

CAS
930-22-3
PubChem CID
13586
DTXSID
DTXSID4025240
ChEMBL
CHEMBL1299388
UNII
478ERR5NKR
EC Number
213-210-4
Nikkaji
J70.086J

물성

구조 계산 물성보충 중

XLogP
0.5
극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
5
형식 전하
0
복잡도
49.6

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree
PolymersPlastics & Rubber -> Other Monomers
Density · 3건

0.87 (NTP, 1992) - Less dense than water; will float

0.9006 g/cu cm @ 25 °C

0.869 @25 °C

Color/FormLiquid
Solubility · 2건

10 to 50 mg/mL at 70 °F (NTP, 1992)

Soluble in ethanol, ethyl ether, benzene, and organic solvents

Flash Point · 3건

-50 °F (NTP, 1992)

Flash point < -50 °C

BELOW -50 °C (BELOW -58 °F) (CLOSED CUP)

Boiling Point · 3건

149 to 151 °F at 760 mmHg (NTP, 1992)

68 °C

67 °C @760 [mm Hg]

DecompositionWhen heated to decomposition it emits acrid smoke and fumes.
Melting Point · 3건

-211 °F (NTP, 1992)

-135 deg

-135 °C

Vapor Density

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe 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 HazardsThis chemical is flammable. (NTP, 1992)
Fire PotentialA very dangerous fire hazard when exposed to heat or flame; can react with oxidizing materials.
Health HazardsACUTE/CHRONIC HAZARDS: This compound emits acrid fumes when heated to decomposition. (NTP, 1992)
Hazards SummaryIntraperitoneal LD50 (rat) = 168 mg/kg; [HSDB] An irritant; [MSDSonline]
Reactive GroupHydrocarbons, Aliphatic Unsaturated
TSCA Requirements · 1건

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Oxiran, ethenyl- is included on this list.

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

IN RAT LIVER MICROSOMES, 1,3-BUTADIENE WAS METABOLIZED TO BUTADIENE MONOXIDE WHICH WAS SUBSEQUENTLY TRANSFORMED INTO 3-BUTENE-1,2-DIOL BY MICROSOMAL EPOXIDE HYDROLASE. IN METABOLISM OF BUTADIENE OXIDE IN MICROSOMES, 4 METABOLITES WERE DETECTED; 2 STEREOISOMERS OF DL-DIEPOXYBUTANE & 2 STEREOISOMERS OF 3,4-EPOXY-1,2-BUTANEDIOL. NO MESODIEPOXYBUTANE WAS DETECTED.

Butadiene_monoxide has known human metabolites that include diepoxybutane (DEB).

MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

용도 및 제조

Uses · 4건

Used as a comonomer with propylene oxide for polyethers and a reactive diluent for epoxy resins; [HSDB]

Plastic Composites Manufacturing [Category: Industry]

COMONOMER WITH PROPYLENE OXIDE FOR POLYETHERS

REACTIVE DILUENT FOR EPOXY RESINS

ImpuritiesMay contain up to 3% methylene chloride.
General Manufacturing InformationOxirane, 2-ethenyl-: ACTIVE

응용 분야

용도Butadiene monoxide is used as key starting material for the synthesis of (-)-bulgecinine and (+)-broussonetine G.

일반 설명Clear light yellow liquid.

상·하류 제품 정보

하류 제품

1-METHOXY-2-부탄올1,6-HEPTADIEN-4-OL

관련 반응

39건
반응 기록 만들기
HRID 54721 반응식
HRID 54721반응물로uspto-grants-1997_04
HRID 54722 반응식
HRID 54722반응물로uspto-grants-1997_04
HRID 54723 반응식
HRID 54723반응물로uspto-grants-1997_04
HRID 54724 반응식
HRID 54724반응물로uspto-grants-1997_04
HRID 54725 반응식
HRID 54725반응물로uspto-grants-1997_04
HRID 54726 반응식
HRID 54726반응물로uspto-grants-1997_04
HRID 54727 반응식
HRID 54727반응물로uspto-grants-1997_04
HRID 54728 반응식
HRID 54728반응물로uspto-grants-1997_04
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· 2건

2.41 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

2.4 (AIR= 1)

Vapor Pressure154.0 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

물리화학적 성질

녹는점
-135 °C · -135 °C
끓는 점
65 · 65-66 °C(lit.)
밀도
0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.417(lit.)
인화점
58 °F · −58 °F
저장 조건
2 · 2-8°C
용해도
에탄올, 에틸 에테르, 벤젠 및 유기 용매와 혼합 가능합니다.
물리적 상태
clear liquid to slightly cloudy liquid
색상
Colorless to Light orange to Yellow
BRN
103170 · 103170
InChI
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
InChIKey
GXBYFVGCMPJVJX-UHFFFAOYSA-N
SMILES
O1CC1C=C
EPA
1 · 1,2-Epoxy-3-butene (930-22-3)

화학적 성질

clear colorless to light yellow liquid

Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

1,2-EPOXY-3-BUTENE may be sensitive to heat. This compound can react with oxidizing materials. (NTP, 1992). Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.

Air and Water ReactionsHighly flammable. Water soluble.
NFPA Hazard Classification · 4건

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.

2 - Materials that readily undergo violent chemical changes at elevated temperatures and pressures.

W - No water: Materials that react violently or explosively with water.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Fire Fighting ProceduresTo fight fire, use CO2, dry chemical, water spray.
Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

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.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC) · 3건

1.0 [mg/m3]

11 [mg/m3]

67 [mg/m3]

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)

독성 정보

Interactions · 1건

CHLORINATED ETHYLENES ARE METABOLIZED TO REACTIVE EPOXIDIC INTERMEDIATES. EPOXIDES ARE DETOXIFIED IN VIVO BY REACTION WITH GLUTATHIONE (GSH) OR BY ENZYMATIC HYDRATION WHICH CAN BE INHIBITED BY COMPETITIVE EPOXIDIC SUBSTRATES. CONTRIBUTION OF THESE 2 PATHWAYS TO DETOXIFICATION OF METABOLITES OF 1,1-DICHLOROETHYLENE (1,1-DCE) WAS STUDIED IN VIVO IN FASTED MALE RATS. PRETREATMENT WITH BUTADIENE MONOXIDE CAUSED VIRTUALLY TOTAL DEPLETION OF HEPATIC-GSH FOR OVER 2 HR, THEREFORE, DECREASING THE 2 HR LC50 OF 1,1-DCE. AS MEASURED BY GAS UPTAKE PROCEDURES, IT INHIBITED THE RATE OF 1,1-DCE METABOLISM.

Non-Human Toxicity Excerpts · 2건

INCUBATION OF SALMONELLA TYPHIMURIUM STRAINS TA1530, TA1535 & TA100 IN PRESENCE OF GASEOUS BUTADIENE MONOXIDE CAUSED REVERSION TO HISTIDINE PROTOTROPHY WITHOUT METABOLIC ACTIVATION.

ALKYLATION UNDER IN VITRO CONDITIONS MAY BE USEFUL TO EVALUATE MUTAGENICITY OF CHEM. ALKYLATION OF 4-(P-NITROBENZYL)PYRIDINE & DEOXYGUANOSINE WITH EPOXY COMPD WITHOUT METABOLIC ACTIVATION WAS EXAM & COMPARED WITH MUTAGENIC ACTIVITY IN ESCHERICHIA COLI WP2 UVRA. BUTADIENE MONOOXIDE WAS MUCH LESS REACTIVE & MUTAGENIC THAN THE HALOGEN-SUBSTITUTED COMPD, EPICHLOROHYDRIN, EPIBROMOHYDRIN & EPIFLUOROHYDRIN.

Antidote and Emergency Treatment · 2건

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aliphatic hydrocarbons and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory rest. Positive pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aliphatic hydrocarbons and related compounds/

Non-Human Toxicity ValuesLD50 Rat ip 168 mg/kg

규제 정보

TSCA Requirements · 1건

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Oxiran, ethenyl- is included on this list.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
EM7350000
ridadr
UN 1993 3/PG 2
HS 번호
29109000
risk_code
11-22-36
hazard_code
F,Xn
safety_code
16-26-36/37
포장분류
II
위험 등급
3
F 고인화성물질
21
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
930-22-3(Hazardous Substances Data)
헥센(시스-2)-1-올
1,4-Dicyano-2-butene
1-시아노-2-하이드록시-3-부텐
2-에톡시-3-부텐-1-올