4-이소프로필시클로헥스-2-엔-1-온
4-Isopropyl-2-cyclohexenone
기본 정보
- CAS
2158-61-4- 표준 SMILES
CC(C)C1C=CC(=O)CC1- InChIKey
AANMVENRNJYEMK-UHFFFAOYSA-N- 분자식
- C9H14O
- 평균 분자량
- 138.21 g/mol
- 단동위원소 질량
- 138.10446507
개요
4-(1-methylethyl)-2-Cyclohexen-1-one is a member of cyclohexenones.
이름 및 식별자
- 우선 이름
- 4-Isopropyl-2-cyclohexenone
- IUPAC
- 4-propan-2-ylcyclohex-2-en-1-one
- 현지명
- 4-이소프로필시클로헥스-2-엔-1-온
- 영어명
- 4-isopropylcyclohex-2-en-1-one
- 분자식
- C9H14O
- 분자량
- 138.21
이름 및 동의어
4-Isopropyl-2-cyclohexenone500-02-7CryptonCryptone2-Cyclohexen-1-one, 4-(1-methylethyl)-4-Isopropylcyclohex-2-en-1-one4-(1-Methylethyl)-2-cyclohexen-1-one4-propan-2-ylcyclohex-2-en-1-one2-Cyclohexen-1-one, 4-isopropyl-4-iso-Propyl-2-cyclohexenone0U8E4W4GBBNSC 22060
이름 더 보기
4-이소프로필시클로헥스-2-엔-1-온NSC22060)-Cryptone(±)-CryptoneCryptone【compound】6-Isopropylcyclohexen-3-one4-Isopropyl-2-cyclohexen-1-one
DL-KRYPTONEEINECS 207-898-5NSC-22060FEMA NO. 3939DTXSID108620554-ISOPROPYL-2-CYCLOHEXENONE [FHFI](+-)-CryptoneRefChem:524320
데이터베이스 식별자
- CAS
2158-61-4、500-02-7- PubChem CID
- 92780
- DTXSID
DTXSID10862055- ChEBI
CHEBI:229380- UNII
- 0U8E4W4GBB
- EC Number
- 207-898-5
- Nikkaji
- J11.669F
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 156
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.930-0.950
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point198 °C
Refractive Index1.481-1.490
Physical DescriptionColourless liquid; woody minty herbaceous
물리화학적 성질
- 끓는 점
- 98 · 98-100 °C(Press: 10 Torr)
- 밀도
- 0.9472 · 0.9472-0.9483 g/cm3(Temp: 15 °C)
- FEMA
- 3939 · 3939 | 4-ISOPROPYL-2-CYCLOHEXENONE
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에탄올(약간 용해됨), 아세트산에틸(약간 용해됨)
- 물리적 상태
- 기름
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (> 99.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1522 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Cyclohexen-1-one, 4-(1-methylethyl)-
Regulation (EC) No 1334/2008 (amended)
2-Cyclohexen-1-one, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (> 99.9%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-21688
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Cyclohexen-1-one, 4-(1-methylethyl)-: ACTIVE
응용 분야
용도(±)-Cryptone is a component in Eucalyptus camaldulensis essential oils and is a volatile component found in lavender. (±)-Cryptone is also an intermediate in the synthesis of β-Phellandrene (P294560), a terpene compound that can be found and extracted from the leaves of eucalyptus radiata. β-Phellandrene is also a major constituent of essential oils that have antiproliferative effects in human renal adenocarcinoma and amelanotic melanoma cells.
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