기본 정보
- CAS
4312-99-6- 표준 SMILES
C=CC(=O)CCCCC- InChIKey
KLTVSWGXIAYTHO-UHFFFAOYSA-N- 분자식
- C8H14O
- 평균 분자량
- 126.2 g/mol
- 단동위원소 질량
- 126.10446507
개요
1-Octen-3-one is an olefinic compound. It is functionally related to an acrylic acid.
이름 및 식별자
- 우선 이름
- 1-Octen-3-one
- IUPAC
- oct-1-en-3-one
- 영어명
- 1-Octen-3-one
- 분자식
- C8H14O
- 분자량
- 126.2
이름 및 동의어
1-OCTEN-3-ONEOct-1-en-3-one4312-99-6Vinyl amyl ketoneAmyl vinyl ketoneFEMA No. 3515DTXSID50471627LT7Z4Q9XRDTXCID3027162RefChem:76779224-327-5Pentyl vinyl ketone
이름 더 보기
-octen-3-one1-OCLen-3-one7-Octene-6-one1-Octen-3-one>
n-pentyl vinyl ketoneMFCD000365581-octene-3-oneOcten-3-one, 11-Octen-3-one, 96%FEMA 35151-Octen-3-one, analytical standardAKOS007930624
데이터베이스 식별자
- CAS
4312-99-6- PubChem CID
- 61346
- DTXSID
DTXSID5047162- ChEMBL
CHEMBL3186486- ChEBI
CHEBI:88900- UNII
- 7LT7Z4Q9XR
- EC Number
- 224-327-5
- Nikkaji
- J126.519I
물성
구조 계산 물성
- XLogP
- 2.4
- 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
- 94.7
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
FragrancesFragrance Ingredient (1-Octen-3-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.813-0.819
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oils
Miscible at room temperature (in ethanol)
Boiling Point
59.00 to 60.00 °C. @ 16.00 mm Hg
37-38 °C (1.9-2.3 mm Hg)
Refractive Index1.428-1.439
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid; mushroom odour
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1594 reports by companies from 7 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1-Octen-3-one
Regulation (EC) No 1831/2003 (amended)
1-Octen-3-one: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May polymerize; A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29142990
- risk_code
- 22-36/37/38-52/53-36/38
- hazard_code
- Xn
- safety_code
- 26-36-61
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-26711
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Octen-3-one: ACTIVE
응용 분야
출처Reported found in cooked artichoke, cider, fish, matsutake, milk, peas, soya bean, mushrooms, potatoes, orange juice, tomato and passion fruit.
용도1-Octen-3-one is a volatile unsaturated ketone that has a strong mushroom-like odour. 1-Octen-3-one is also a flavour component of the Agaricus bisporus mushroom and is used in a variety of food products.
일반 설명1-Octen-3-one is also known as "mushroom alcohol". It is a C8 aliphatic volatile compound, a component of essential oils of various plants including Origanum vulgare, L. lopez-palacii, Phyllanthus emblica and Scutellaria barbata. 1-Octen-3-one is a vital food additive with a characteristic mushroom odor. Various studies also demonstrate the antimicrobial activity of this natural product.
상·하류 제품 정보
상류 원료
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