2-알릴사이클로헥사논

Cyclohexanone, 2-(2-propen-1-yl)-

HCID 78944CAS 94-66-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CCC1CCCCC1=O
InChIKey: UPGHEUSRLZSXAE-UHFFFAOYSA-N
분자식: C9H14O
평균 분자량: 138.21 g/mol
단동위원소 질량: 138.10446507

이름 및 식별자

우선 이름: Cyclohexanone, 2-(2-propen-1-yl)-
IUPAC: 2-prop-2-enylcyclohexan-1-one
현지명: 2-알릴사이클로헥사논
영어명: 2-Allylcyclohexanone
분자식: C9H14O
분자량: 138.21

이름 및 동의어

2-Allylcyclohexanone94-66-6Cyclohexanone, 2-(2-propenyl)-2-Allylcyclohexan-1-oneCyclohexanone, 2-allyl-Cyclohexanone, 2-(2-propen-1-yl)-EINECS 202-352-2NSC 128921AI3-07009DTXSID90883283RefChem:580719Cyclohexanone, 2-allyl-(8CI)

이름 더 보기

2-알릴사이클로헥사논TIMTEC-BB SBB006544O-ALLYLCYCLOHEXANONE2-Allylcyclohexanone 97%2-Allylcyclohexanone >2-Allylcyclohexanone, 97 %2-(2-propenyl)-cyclohexanon

DTXCID901022826202-352-22-prop-2-enylcyclohexan-1-one2-(prop-2-en-1-yl)cyclohexan-1-oneMFCD00043548NSC-1289212-(2-Propenyl)cyclohexanoneNSC128921

데이터베이스 식별자

CAS: 94-66-6
PubChem CID: 78944
DTXSID: DTXSID90883283
UNII: KA2CS982EX
EC Number: 202-352-2
Nikkaji: J182.106G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

끓는 점: 94 °C/23 · 94 °C/23 mmHg (lit.)
밀도: 0.927 g/mL · 0.927 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.469(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 0.927 · 0.927
수용성: 불용성
InChI: 1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2
InChIKey: UPGHEUSRLZSXAE-UHFFFAOYSA-N
SMILES: C=CCC1CCCCC1=O
NIST: 2 · Cyclohexanone, 2-(2-propenyl)-(94-66-6)
EPA: 2 · Cyclohexanone, 2-(2-propenyl)- (94-66-6)

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3077
HS 번호: 29142990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39-45-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexanone, 2-(2-propen-1-yl)-: INACTIVE

응용 분야 · 2건

용도2-Allylcyclohexanone may be used in the synthesis of the following:bicyclo[3.3.1]non-2-en-9-oneR-(-)-epilachnene, an antipode of the defensive droplets from the Mexican bean beetle, Epilachna varivestis

일반 설명2-Allylcyclohexanone is a β,γ-unsaturated ketone. Selective oxidation of 2-allylcyclohexanone by benzonitrile-hydrogen peroxide has been reported. Asymmetric synthesis of 2-alkylcyclohexanones by alkylation of cyclohexanone enamines (III) of L-proline ester derivatives has been described. Oxidation of 2-allylcyclohexanone by 90% hydrogen peroxide catalyzed by arsonated polystyrene has been studied.

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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