기본 정보
- CAS
2363-89-5- 표준 SMILES
CCCCCC=CC=O- InChIKey
LVBXEMGDVWVTGY-UHFFFAOYSA-N- 분자식
- C8H14O
- 평균 분자량
- 126.2 g/mol
- 단동위원소 질량
- 126.10446507
개요
oct-2-enal has been reported in Pternistria bispina, Gossypium hirsutum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Oct-2-enal
- IUPAC
- oct-2-enal
- 현지명
- 2월XNUMX일
- 영어명
- oct-2-enal
- 분자식
- C8H14O
- 분자량
- 126.2
이름 및 동의어
oct-2-enalCHEBI:61725oct-2-en-1-alRefChem:855400219-115-42-OCTENAL2363-89-5OCTENAL2-(E)-octenaloct-(e)-2-enalOct-2(E)-enalDTXSID0062349
이름 더 보기
2월XNUMX일2-Octen-1-al
n-Oct-2-enal(Z)-2-octen-1-alTrans-2-OCTEN-L-ALEpitope ID:143639SCHEMBL310029SCHEMBL1535636AKOS025243624DB-120366
데이터베이스 식별자
- CAS
2363-89-5、2548-87-0- PubChem CID
- 16900
- DTXSID
DTXSID0062349- EC Number
- 219-115-4
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 84.6
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Octenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.835-0.845
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Soluble in most fixed oils
Soluble (in ethanol)
Boiling Point
84.00 to 86.00 °C. @ 19.00 mm Hg
84-86 °C (19 mm Hg)
Refractive Index1.449-1.455
Physical DescriptionColourless to slightly yellow liquid; Fatty, green aroma
물리화학적 성질
- 끓는 점
- 190 ℃ · 190℃
- 밀도
- 0.832 · 0.832
- FEMA
- 3215 · 3215 | 2-OCTENAL
- 인화점
- 68 ℃ · 68℃
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 16.8% (259 of 1545) of reports.
Warning
H315 (83.2%): 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 1545 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Octenal
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Octenal: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Octenal: Environment tier I assessment
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-Octenal 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.
Cellular LocationsMembrane
용도 및 제조
UsesNaturally produced by the body (endogenous).
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Octenal: ACTIVE
응용 분야
개요2-Octenal has a peculiar green-leafy odor which is less fatty than octanal with an orange, honey-like, cognac-like aroma. 2-Octenal may be prepared by prolonged heating of a solution of heptanal and formaldehyde in the presence of dimethylamino hydrochloride; by boiling 4,5-diketo-3-pentyltetrahydrofuran under a nitrogen blanket.
출처Reported found in potato chips, orange juice, cranberry, strawberry, asparagus, cabbage, peas, tomato, wheat and crisp bread, Russian cheeses, caviar, butter, yogurt, fish, beef and lamb fat, cured pork, roasted filberts and peanuts, peanut butter, soybean, mushroom, walnut, rice, corn tortillas, malt and sweet grass oil.
제조 방법
By prolonged heating of a solution of heptanal and formaldehyde in the presence of dimethylamino hydrochloride; by boiling 4,5-diketo-3-penthyltetrahdyrofuran under a nitrogen blanket.
관련 반응
2건
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