기본 정보
- 표준 SMILES
C=CC1(C)CO1- InChIKey
FVCDMHWSPLRYAB-UHFFFAOYSA-N- 분자식
- C5H8O
- 평균 분자량
- 84.12 g/mol
- 단동위원소 질량
- 84.05751488
개요
Isoprene oxide is a clear colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Methyl-2-vinyloxirane
- IUPAC
- 2-ethenyl-2-methyloxirane
- 영어명
- ISOPRENE MONOXIDE
- 분자식
- C5H8O
- 분자량
- 84.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1838-94-4- PubChem CID
- 92166
- DTXSID
DTXSID701031061- UNII
- O364AQJ1K5
- EC Number
- 628-136-1
- Nikkaji
- J306.060H
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 78
실험 및 물리화학적 성질
Physical Description
Isoprene oxide is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
물리화학적 성질
- 끓는 점
- 79.5 · 79.5-80.5 °C(lit.)
- 밀도
- 0.857 g/mL · 0.857 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.416(lit.)
- 인화점
- 18 °F · 18 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 물에 약간 용해됩니다.
- BRN
- 104216 · 104216
- InChI
- 1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3
- InChIKey
- FVCDMHWSPLRYAB-UHFFFAOYSA-N
- SMILES
- CC1(CO1)C=C
- EPA
- 2 · Oxirane, 2-ethenyl-2-methyl- (1838-94-4)
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
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.
안전 및 보호
First Aid
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.
Personal Protective Equipment (PPE)
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)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 2910900090
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- 포장분류
- II
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도Isoprene monoxide is used as a pharmaceutical intermediate.
일반 설명Clear colorless liquid.
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공급사50 곳
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