기본 정보
- CAS
557-48-2- 표준 SMILES
CC/C=C\CC/C=C/C=O- InChIKey
HZYHMHHBBBSGHB-ODYTWBPASA-N- 분자식
- C9H14O
- 평균 분자량
- 138.21 g/mol
- 단동위원소 질량
- 138.10446507
개요
(2E,6Z)-nona-2,6-dienal is an enal that is (2E,6Z)-nona-2,6-diene substituted by an oxo group at position 1. It has a role as a plant metabolite. It is an enal and a trans-2,3-unsaturated fatty aldehyde.
이름 및 식별자
- 우선 이름
- trans-2,cis-6-Nonadienal
- IUPAC
- (2E,6Z)-nona-2,6-dienal
- 영어명
- FEMA 3377
- 분자식
- C9H14O
- 분자량
- 138.21
이름 및 동의어
trans-2,cis-6-Nonadienal(2E,6Z)-nona-2,6-dienaltrans,cis-2,6-NonadienalViolet leaf aldehydeCucumber aldehyde(2E,6Z)-Nonadienal(2E,6Z)-2,6-Nonadienal2-trans-6-cis-Nonadienal2E,6Z-nonadienalCHEBI:7610RefChem:898735DTXCID701767739
이름 더 보기
FEMA 3377NONADIENAL-2,6T2 C6 NONADIENAL(e,z)-6-nonadienal
DTXSID1047104557-48-2(E,Z)-2,6-nonadienal2,6-Nonadienal, (2E,6Z)-(2E,6Z)-Nona-2,6-dien-1-al2,6-NONADIENAL, (E,Z)-Nona-2,6-dienal2-trans-6-cis-Nonadien-1-al
데이터베이스 식별자
- CAS
557-48-2- PubChem CID
- 643731
- DTXSID
DTXSID1047104- ChEBI
CHEBI:7610- UNII
- 93E895X03C
- EC Number
- 209-178-6
- Nikkaji
- J59.348F
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
FragrancesFragrance Ingredient (Nona-2-trans-6-cis-dienal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.850-0.870
Solubility
very slightly
Soluble in most fixed oils; Insoluble in water
soluble (in ethanol)
Boiling Point
94.00 to 95.00 °C. @ 18.00 mm Hg
94 °C
Refractive Index1.470-1.475
Physical DescriptionSlightly yellow liquid; powerful, violet, cucumber
물리화학적 성질
- 끓는 점
- 94 · 94-95 °C18 mm Hg(lit.)
- 밀도
- 0.86 g/mL · 0.86 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.474(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 6.9% (105 of 1526) of reports.
Warning
H315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1526 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2,6-Nonadienal, (E,Z)-
2,6-Nonadienal, (2E,6Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (90.5%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RA5391800
- ridadr
- NA 1993 / PGIII
- 독성
- LD50 orl-rat: >5 g/kg FCTOD7 20,769,82
- HS 번호
- 2912.19.5000
- risk_code
- 36/37/38
- safety_code
- 24/25
- 기존화학 물질
- KE-26067
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Nonadienal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2,6-Nonadienal, (2E,6Z)-: ACTIVE
응용 분야
출처Reported as naturally occurring in violet leaves and flowers, in cucumber, sweet and sour cherry, guava, peas, tomato, potato, bell pepper, wheat bread, rye bread, milk, milk powder, fish and fish oil, roast chicken, guinea hen, beef, beer, coffee, tea, oats, mango, kelp, prickly pear, malt, dried bonito, endive, oysters, clam and mate.
용도trans-2,cis-6-Nonadienal is an unsaturated aldehyde that is responsible for the cucumber smell of Synura petersenii, a freshwater colonial flagellate. trans-2,cis-6-Nonadienal is also a common natural and drinking water contaminant.
일반 설명trans-2,cis-6-Nonadienal is the key contributor to the cucumber flavor. It is also found in mango ripened anchovy and kelp. Unialgal cultures of various Synurophycean species for the occurrence of trans-2,cis-6-nonadienal have been investigated.
제조 방법
From natural hexenol
상·하류 제품 정보
상류 원료
관련 반응
2건
화합물 노트
불러오는 중…