기본 정보
- 표준 SMILES
c1ccc([C@@H]2CO2)cc1- InChIKey
AWMVMTVKBNGEAK-QMMMGPOBSA-N- 분자식
- C8H8O
- 평균 분자량
- 120.15 g/mol
- 단동위원소 질량
- 120.05751487
이름 및 식별자
- 우선 이름
- (+)-Styrene oxide
- IUPAC
- (2R)-2-phenyloxirane
- 영어명
- (R)-Styrene oxide
- 분자식
- C8H8O
- 분자량
- 120.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
20780-53-4- PubChem CID
- 114705
- DTXSID
DTXSID401349483- ChEMBL
CHEMBL1235743- ChEBI
CHEBI:45389- UNII
- 0HB27D5MRW
- EC Number
- 606-637-6
- Nikkaji
- J471.947F
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 94
물리화학적 성질
- 녹는점
- -37 °C · -37 °C
- 끓는 점
- 89 · 89-90 °C23 mm Hg(lit.)
- 밀도
- 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.535
- 인화점
- 175 °F · 175 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 폭발한계
- 22 % · ~22%
- 수용성
- 불용성
- BRN
- 1984 · 1984
- InChI
- 1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
- InChIKey
- AWMVMTVKBNGEAK-QMMMGPOBSA-N
- SMILES
- C1O[C@@H]1c2ccccc2
- NIST
- Benzene, (epoxyethyl)-, (R)-(20780-53-4)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
GHS 분류
GHS Classification
Danger
H312 (98.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H350 (100%): May cause cancer [Danger Carcinogenicity]
P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Oxirane, phenyl-, (R)-
(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (98.2%);Eye Irrit. 2 (100%);Carc. 1B (100%)
Acute toxicity - category 4;Eye irritation - category 2A;Skin sensitisation - category 1;Carcinogenicity - category 1B
규제 정보
Regulatory Information
Chemical: Oxirane, phenyl-, (R)-
(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- rtecs
- CZ9625010
- ridadr
- 2810
- HS 번호
- 29109000
- risk_code
- 45-21-36
- hazard_code
- T
- safety_code
- 53-45
- 포장분류
- III
- 위험 등급
- 6.1
- F 고인화성물질
- 10
- Hazard Classifications
- Acute Tox. 4 DermalCarc. 1BEye Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical 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.
응용 분야
용도Main metabolite of Styrene (S687790), catalyzed by epoxide hydrolase.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: The (R)-enantiomer of styrene oxide.
관련 반응
연결된 노트
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