3,7-Dimethylocta-2,6-Dienal

HCID 8843CAS 5392-40-5

기본 정보

표준 SMILES
CC(C)=CCCC(C)=CC=O
InChIKey
WTEVQBCEXWBHNA-UHFFFAOYSA-N
분자식
C10H16O
평균 분자량
152.23 g/mol
단동위원소 질량
152.12011513

개요

Citral is an enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange. It has a role as an insecticide, a metabolite, a flavouring agent, a fragrance and an EC 1.2.3.1 (aldehyde oxidase) inhibitor. It contains a geranial and a neral.

이름 및 식별자

우선 이름
3,7-Dimethylocta-2,6-Dienal
IUPAC
3,7-dimethylocta-2,6-dienal

이름 및 동의어

RefChem:10661553,7-Dimethylocta-2,6-DienalLemarome nlime octadienalNSC 6170cis,trans-CitralSCHEMBL23074SCHEMBL954112orb1304483orb30257643,7-dimethyl-2,6-octandienalCHEMBL2297541
이름 더 보기
3,7-dimethyl-octa-2,6-dienalCitral (cis- and trans- mixture)3,7-dimethyl-2,6-octadien-1-al3,7-dimethyl-2,6-octadiene-1-alAKOS024306977Citral 1000 microg/mL in AcetonitrileDB-052426D0762

데이터베이스 식별자

CAS
5392-40-5
PubChem CID
8843
DTXSID
DTXSID6024836
ChEMBL
CHEMBL2297541
ChEBI
CHEBI:23316

물성

구조 계산 물성

XLogP
3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound

관련 반응

95건

연결된 노트

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