로즈케톤-4

Damascenone

HCID 62775CAS 23696-85-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC=CC(=O)C1=C(C)C=CCC1(C)C
InChIKey
POIARNZEYGURDG-UHFFFAOYSA-N
분자식
C13H18O
평균 분자량
190.28 g/mol
단동위원소 질량
190.1357652

개요

(E/Z)-damascenone has been reported in Centaurea armena, Iris × germanica, and other organisms with data available.

이름 및 식별자

우선 이름
Damascenone
IUPAC
1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
현지명
로즈케톤-4
영어명
Damascenone
분자식
C13H18O
분자량
190.28

이름 및 동의어

DTXSID6041397DTXCID80196511RefChem:919620Damascenoneb-damascenone2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadiene1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-; 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadieneSCHEMBL164856orb1222483POIARNZEYGURDG-UHFFFAOYSA-N1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene
이름 더 보기
로즈케톤-4β-Damascenone2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-DAMASCENONE TOTALFEMA 34201-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-Buten-1-one4-(2,6,6-Trimethyl cyclohexa-1,3-dienyl)but-2-en-4-one(E)-1-(2,6,6-triMethylcyclohexa-1,3-dien-1-yl)but-2-en-1-oneDamasioneDAMASCENONTrimethyl cyclohexadienyl butenone
s6431AKOS028110970DB-336645NS00075807(E)-beta-Damascenone 1000 microg/mL in Acetonitrile2,6,6-trimethyl-1-(but-2-enoyl)-cyclohexa-1,3-dien1-(2,6,6-trimethylcyclohexa-1,3-dienyl) but-2-en-1one1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)-2-buten-1-one

데이터베이스 식별자

CAS
23696-85-7
PubChem CID
62775
DTXSID
DTXSID6041397

물성

구조 계산 물성

XLogP
3.2
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
14

물리화학적 성질

끓는 점
275.6 · 275.6±10.0 °C(Predicted)
밀도
0.8 · 0.800-0.830 g/mL at 25 °C (lit.)
굴절률
1.35 · 1.350-1.380
FEMA
3420 · 3420 | 1-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)-2-BUTEN-1-ONE
인화점
62 °F · 62°F
저장 조건
2 · 2-8°C

안전 및 규제

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1170
HS 번호
33021090
risk_code
11-43
hazard_code
F,Xi

화학 및 산업

용도 및 제조

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야 · 3건

출처Reported found in raspberry oil, Burley tobacco, apple, lemon balm, summer savory, anise, hyssop, apple juice, cooked apple, apricot, sweet and sour cherry, black currant berries, fresh blackberry, strawberry jam, hop oil rum, white wine, red wine, black tea, tomato, rye bread, blue cheese, cow, goat and sheep milk, hop oil, beer, cognac, rum, whiskies, scotch, cider, grape wines, coffee, tea, popcorn, oatmeal, soybean, plum, prune, beans, starfruit, mango, tamarind, dill seed, corn oil, okra, cape gooseberry, anise hyssop and Roman chamomile oil.

용도Damascenone is a fragrance ingredient that can be used in shampoos, fine fragrances, decorative cosmetics, toilet soaps as well as non-cosmetic products like household cleaners and detergents.

일반 설명Damascenone is a norisoprenoid ketone mainly found in red wines. It occurs naturally in tomato and grapes.

제조 방법

By treating the corresponding ethyl safranate with allyl lithium, followed by catalytic isomerization of the reaction product; also from the oxirane derivative of β-damascone by an acid-catalyzed reaction.

상·하류 제품 정보

하류 제품

공급사50 곳

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