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기본 정보
- CAS
28940-11-6- 표준 SMILES
Cc1ccc2c(c1)OCC(=O)CO2- InChIKey
SWUIQEBPZIHZQS-UHFFFAOYSA-N- 분자식
- C10H10O3
- 평균 분자량
- 178.187 g/mol
- 단동위원소 질량
- 178.06299418
이름 및 식별자
- 우선 이름
- Methyl benzodioxepinone
- IUPAC
- 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
- 현지명
- 메틸벤조다이옥세피논
- 영어명
- Watermelon Ketone
- 분자식
- C10H10O3
- 분자량
- 178.18
이름 및 동의어
메틸벤조다이옥세피논수박케톤CALONECALONE 1951WatermelonMETHYL BENZODIOXEPINONE5-Benzodioxepin-3(4H)-one,7-methyl-2H-17-methyl-2h-benzo-1,5-dioxepin-3(4h)-oneWATERMELON KETONE 50% SOLUTION IN ETHYL DIGLYCOLGelucoroneCALONE161 918974WATERMELON KETONE
데이터베이스 식별자
- CAS
28940-11-6- PubChem CID
- 120101
- DTXSID
DTXSID0047165- ChEMBL
CHEMBL3187905- UNII
- 0NQ136C313
- EC Number
- 249-320-4
- Nikkaji
- J286.485A
물성
물리화학적 성질
- 녹는점
- 37 to · 37.0 to 41.0 °C
- 끓는 점
- 91 °C/0.2mmHg · 91°C/0.2mmHg(lit.)
- 밀도
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- 증기압
- 0.87 Pa · 0.87Pa at 25℃
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 50 mg/mL · DMSO : ≥ 50 mg/mL (280.60 mM)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 밝은 노란색
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 신선한 물 깨끗한 멜론 녹색 해양 오존 페놀릭
- 냄새 유형
- 멜론
- 수용성
- 13.7 g/L · 13.7g/L at 20℃
- 화장품 원료 기능
- 향수향기
- InChIKey
- SWUIQEBPZIHZQS-UHFFFAOYSA-N
- LogP
- 1.95 at · 1.95 at 30℃
- EPA
- 2 H-1,5-Benzodioxepin-3 · 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl- (28940-11-6)
화학적 성질
Watermelon Ketone is a white powder with a fresh marine odor, mp 35–41°C. It is used to create fresh aquatic marine notes in perfume oils for many applications, for example, for fine fragrances, soaps, and shower gels.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 2932990090
- 기존화학 물질
- 2012-3-5391
화학 및 산업
응용 분야
개요Watermelon Ketone, also known as calone or methylbenodioxepinone is a hydrocarbon compound with similar structure of certain alicyclic C11-hydrocarbons such as ectocarpene. It is a flavor and fragrance chemical compound with special odorant. It was used as a scent component since the 1980s for its watery, fresh, ozone accords. It was later supplemented into several perfumes of the marine trend, beginning in the 1990s.
용도7-Methyl-2H-1,5-benzodioxepin-3(4H)-one has shown gender-specific reduction in overall olfactory impact of stress-related odor by cross adaptation in human apocrine secretion.
제조 방법
The material is prepared by etherification of 4-methylpyrocatechol with two equivalents of alkyl 2-bromoacetate and subsequentDieckmann condensation followed by hydrolysis and decarboxylation.
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