기본 정보
- CAS
18829-56-6- 표준 SMILES
CCCCCC/C=C/C=O- InChIKey
BSAIUMLZVGUGKX-BQYQJAHWSA-N- 분자식
- C9H16O
- 평균 분자량
- 140.22 g/mol
- 단동위원소 질량
- 140.12011513
개요
(E)-non-2-enal is a monounsaturated fatty aldehyde that is (2E)-non-2-ene which is carrying an oxo group at position 1. It has a role as a plant metabolite. It is a medium-chain fatty aldehyde, an enal and a monounsaturated fatty aldehyde.
이름 및 식별자
- 우선 이름
- 2-Nonenal
- IUPAC
- (E)-non-2-enal
- 현지명
- 트랜스-2-노네날
- 영어명
- TRANS-2-NONENAL
- 분자식
- C9H16O
- 분자량
- 140.22
이름 및 동의어
2-NONENAL2463-53-83-Hexylacroleinbeta-Hexylacrolein3-Hexyl-2-propenalHeptylideneacetaldehydealpha-Nonenyl aldehyde2-Nonen-1-al3-hexyl-acrolein2(E)-nonenal93C6BZW2TVDTXSID3047219
이름 더 보기
트랜스-2-노네날트랜스-2-노네날(TRANS-2-NONENAL)FCC(2E)-2-NonenalTRANS-2-NONEN-1-ALNON-2-ENALFEMA 3213trans-2-Nonenal 97%2E-9CHOT2 NONENAL
RefChem:910150DTXCID1027219(2Z)-non-2-enaltrans-2-Nonenal18829-56-6(E)-Non-2-enal(E)-2-Nonenal2-Nonenal, (2E)-
데이터베이스 식별자
- CAS
18829-56-6、2463-53-8- PubChem CID
- 5283335
- DTXSID
DTXSID0047086- ChEMBL
CHEMBL450072- ChEBI
CHEBI:142592- UNII
- 8VEO649985
- EC Number
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 94.9
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aldehydes
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance Ingredient (2-Nonenal) -> IFRA transparency List
Fragrance Ingredient (trans-2-Nonenal) -> IFRA transparency List
LogP3.11
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.855-0.865
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
Solubility
Soluble in most fixed oils; Insoluble in water
Soluble (in ethanol)
Boiling Point88-90 °C (12 mm Hg)
Refractive Index1.454-1.460
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1550 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: 2-Nonenal
Chemical: 2-Nonenal, (E)-
Regulation (EC) No 1831/2003 (amended)
Regulation (EC) No 1831/2003 (amended)
2-Nonenal, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
2-Nonenal: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 2-Nonenal, (E)-: Environment tier I assessment
IMAP assessments - 2-Nonenal: Environment tier I assessment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See trans-2-Hexenal and 2-Dodecenal.
Hazard Classes and Categories
Skin Irrit. 2 (> 99.9%)
Skin Irrit. 2 (100%)
독성 정보
TreatmentKidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored.
화학 및 산업
약리 정보
Metabolism/MetabolitesUremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.
용도 및 제조
Uses
Present in beer, coffee, cucumbers, watermelon, palm oil, potatoes, etc.; Used as a flavoring agent; [Merck Index]
Naturally produced by the body (endogenous).
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
2-Nonenal: ACTIVE
2-Nonenal, (2E)-: ACTIVE
응용 분야
용도trans-2-Nonenal is an unsaturated aldehyde that is a product of fatty acid peroxidation (and also has a grassy, cucumber smell). trans-2-Nonenal is naturally found in mushrooms, coffee and is also a constituent of carrot root. It also exhibits insecticidal effects.
일반 설명trans-2-Nonenal (T2N) is a volatile unsaturated aldehyde with an unpleasant greasy odor, present in low concentrations in barley, malt, and certain vegetables. It is utilized as an insect repellent, insecticide, and flavor compound. T2N is one of the basic components contributing to the off-flavor and odor in stored beer.
상·하류 제품 정보
상류 원료
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