기본 정보
- CAS
113486-29-6- 표준 SMILES
CCCCCC(=O)C(C)C(C)=O- InChIKey
BGVBGAIWXAXBLP-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
3-methylnonane-2,4-dione is a beta-diketone that is 3-methylnonane substituted by oxo groups at positions 2 and 4. It has a role as a flavouring agent and a plant metabolite. It is a methyl ketone and a beta-diketone.
이름 및 식별자
- 우선 이름
- 3-Methyl-2,4-nonanedione
- IUPAC
- 3-methylnonane-2,4-dione
- 현지명
- 3-메틸-노난-2,4-디온
- 영어명
- 3-Methyl-nonane-2,4-dione
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
113486-29-63-Methyl-2,4-nonanedione2,4-Nonanedione, 3-methyl-854O7EVF99FEMA NO. 4057DTXSID10869569RefChem:94717DTXCID40817533601-256-13-methylnonane-2,4-dione3-methyl-2,4-nonandioneMFCD08741451
이름 더 보기
3-메틸-노난-2,4-디온3-methyl-2,4-nonadione3-Methyl-nonane-2,4-dionemethylnonanedione,3-methyl-2,4-nonanedione
methyl nonane dione3-Methylnonane-2,4-dione (>80%)UNII-854O7EVF993-METHYLNONAN-2,4-DIONE3-Methyl-2,4-nonandion2,4-Nonanedione, 3-methylSCHEMBL440884SCHEMBL29067119
데이터베이스 식별자
- CAS
113486-29-6- PubChem CID
- 529481
- DTXSID
DTXSID10869569- ChEBI
CHEBI:180202- UNII
- 854O7EVF99
- EC Number
- 601-256-1、926-085-2
- Nikkaji
- J518.622F
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 161
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3-Methyl-2,4-nonedione) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.923-0.927
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in hexane, diethylether; insoluble in water
Soluble (in ethanol)
Boiling Point
235.00 to 236.00 °C. @ 760.00 mm Hg
51-53 °C (1 mm Hg)
Refractive Index1.448-1.454
Physical DescriptionColourless to yellowish liquid; Fruity aroma with vanilla top notes
물리화학적 성질
- 끓는 점
- 238 ℃ · 238℃
- 밀도
- 0.904 · 0.904
- FEMA
- 4057 · 4057 | 3-METHYL-2,4-NONANEDIONE
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 99% (98 of 99) of all reports.
Not Classified
Aggregated GHS information provided per 99 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2,4-Nonanedione, 3-methyl-
Regulation (EC) No 1831/2003 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2,4-Nonanedione, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- HS 번호
- 2914.19.0000
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2,4-Nonanedione, 3-methyl-: ACTIVE
응용 분야
출처Reported present in dried green and black teas as well as dried parsley and dried spinach, Chinese green tea powder, Japanese green tea, boiled carp, soybean oil, black tea and achovy.
용도3-Methylnonane-2,4-dione is a compound that possesses a butter-like and beany off flavour that is a result of flavour reversion of soya-bean oil. 3-Methylnonane-2,4-dione is also present in Japanese green tea and pressure-cooked hen meat.
공급사44 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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