사이클로헥세논
2-Cyclohexen-1-one
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기본 정보
- CAS
25512-62-3- 표준 SMILES
O=C1C=CCCC1- InChIKey
FWFSEYBSWVRWGL-UHFFFAOYSA-N- 분자식
- C6H8O
- 평균 분자량
- 96.13 g/mol
- 단동위원소 질량
- 96.05751488
개요
Cyclohex-2-enone is a cyclohexenone having its C=C double bond at the 2-position.
이름 및 식별자
- 우선 이름
- 2-Cyclohexen-1-one
- IUPAC
- cyclohex-2-en-1-one
- 현지명
- 사이클로헥세논
- 영어명
- Cyclohexenone
- 분자량
- 0
이름 및 동의어
2-CYCLOHEXEN-1-ONECyclohex-2-enone930-68-7Cyclohex-2-en-1-one2-Cyclohexenone3-Oxocyclohexenecyclohexen-3-oneDTXSID1024881CHEBI:15977NSC-59710DTXCID804881445160R1U6
이름 더 보기
사이클로헥세논
FEMA NO. 4517RefChem:909756213-223-5Cyclohexenone1-Cyclohexen-3-oneCyclohexen-1-one2-Cyclohexene-1-oneMFCD00001577
데이터베이스 식별자
- CAS
25512-62-3、930-68-7- PubChem CID
- 13594
- DTXSID
DTXSID1024881- ChEMBL
CHEMBL1439332- ChEBI
CHEBI:15977- UNII
- 445160R1U6
- EC Number
- 213-223-5
- Nikkaji
- J55.441C
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 103
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesChemical shift
LogP0.61
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.988-0.998 (20 °C)
Solubility
Very slightly soluble
Soluble (in ethanol)
Boiling Point100-101 °C (1 mm Hg)
Vapor Pressure3.62 [mmHg]
Refractive Index1.485-1.491
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Pale yellow to yellow clear liquid; In dilution, roasted savoury aroma with a green undertone
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 166 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Cyclohexen-1-one
Status: Active Update: 16-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21787
Cyclohexenone: Does not have an individual approval but may be used under an appropriate group standard
2-Cyclohexen-1-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryA strong sensitizer; [Kanerva, p. 1775] An eye irritant; Harmful by ingestion; Toxic by inhalation and skin absorption; [Alfa Aesar MSDS] See Cyclohexanone. See Carvone and Isophorone.
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 250 ppm/4hr
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-one: ACTIVE
관련 반응
210건
화합물 노트
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