기본 정보
- CAS
2463-53-8- 표준 SMILES
CCCCCCC=CC=O- InChIKey
BSAIUMLZVGUGKX-UHFFFAOYSA-N- 분자식
- C9H16O
- 평균 분자량
- 140.22 g/mol
- 단동위원소 질량
- 140.12011513
개요
non-2-enal has been reported in Fuscopostia leucomallella, Gossypium hirsutum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Non-2-enal
- IUPAC
- non-2-enal
- 영어명
- 2-Nonenal
- 분자식
- C9H16O
- 분자량
- 140.22
이름 및 동의어
Non-2-enalCHEBI:61726RefChem:854435Nonenal30551-15-6.beta.-Hexylacrolein.alpha.-Nonenyl aldehyden-non-2-enal(Z)-2-nonen-1-alEpitope ID:143640SCHEMBL102464SCHEMBL1834413
이름 더 보기
2-TRANS-NONENALNsc207462-nonenalFEMA 3213T2 NONENAL2-NONEN-1-ALβ-Hexylacrolein(2Z)-NON-2-ENALα-Nonenyl aldehyde
SCHEMBL1834414SCHEMBL2163660SCHEMBL27925174SCHEMBL27925175DB-044673NS00093618Q27131346trans-2-Nonenal (contains trans-2-Nonenal diethyl acetal) (ca. 10% in Ethanol, ca. 0.57 mol/L)
데이터베이스 식별자
- CAS
2463-53-8、30551-15-6- PubChem CID
- 17166
- DTXSID
DTXSID3047219- EC Number
- 219-562-5
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
Density0.855-0.865
Flavoring AgentsEU 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
Physical DescriptionWhite to slightly yellow liquid; Powerful, penetrating fatty, violet aroma
물리화학적 성질
- 녹는점
- -28 °C · -28°C (estimate)
- 끓는 점
- 88 · 88-90 °C12 mm Hg(lit.)
- 밀도
- 0.846 g/mL · 0.846 g/mL at 25 °C(lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 굴절률
- 20 · n20/D 1.453(lit.)
- FEMA
- 3213 · 3213 | 2-NONENAL
- 인화점
- 184 °F · 184 °F
- 색상
- 흰색 ~ 약간 노란색의 액체
- 냄새
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.
유해성 정보
Regulatory InformationRegulation (EC) No 1831/2003 (amended)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
독성 정보
TreatmentKidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored.
Health EffectsChronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.
Exposure RoutesEndogenous, Ingestion, Dermal (contact)
Toxicity Summary
Uremic toxins such as 2-Nonenall are actively transported into the kidneys via organic ion transporters (especially OAT3). Increased levels of uremic toxins can stimulate the production of reactive oxygen species. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Reactive oxygen species can induce several different DNA methyltransferases (DNMTs) which are involved in the silencing of a protein known as KLOTHO. KLOTHO has been identified as having important roles in anti-aging, mineral metabolism, and vitamin D metabolism. A number of studies have indicated that KLOTHO mRNA and protein levels are reduced during acute or chronic kidney diseases in response to high local levels of reactive oxygen species (A7869).
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
UsesNaturally produced by the body (endogenous).
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
응용 분야
개요2-Nonenal has a very powerful, penetrating fatty odor in concentrated form. It is orris-like, waxy, and quite pleasant on dilution. The odor is reminiscent of dried orange peels. Prepared by oxidation of 9,10,12-trihydroxy stearic acid (Criegee reaction).
출처Reported found in orris oil, melon, peach, asparagus, carrot, peas, tomato, wheat and crisp breads, Russian cheeses, caviar, butter, fish oil, cooked beef, mutton, pork, and their fats, hop oil, cognac, roasted filberts and peanuts, soybean, beans, sesame seed, mango, rice, beer, and potato chips
용도The concentration in a perfume oil may be of the order of magnitude of 0.01 to 0.03%. An addition of 0.02% of 2-Nonenal to a normal grade of "gamma" -Methylionone will produce a distinctly ("orrisy") perceptible effect, desirable and attractive in the opinion of many perfumers.
제조 방법
By oxidation of 9,10,12-trihydroxystearic acid (Criegee reaction)
상·하류 제품 정보
상류 원료
관련 반응
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