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
- 형식 전하
- 0
- 복잡도
- 171
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
관련 반응
95건
연결된 노트
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