기본 정보
- CAS
205687-01-0- 표준 SMILES
COc1cc(COC(=O)CCCC/C=C/C(C)C)ccc1O- InChIKey
ZICNYIDDNJYKCP-SOFGYWHQSA-N- 분자식
- C18H26O4
- 평균 분자량
- 306.4 g/mol
- 단동위원소 질량
- 306.18310931
이름 및 식별자
- 우선 이름
- Capsiate
- IUPAC
- (4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate
- 현지명
- 캡시아
- 영어명
- CAPSIATE
- 분자식
- C18H26O4
- 분자량
- 306.4
이름 및 동의어
capsiate205687-01-0Capsiate NaturaPX8I7HG5I3(4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate(4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoateCHEBI:134190DTXSID201745756-nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (6E)-RefChem:123323DTXCID7097066(E)-4-Hydroxy-3-methoxybenzyl 8-methylnon-6-enoate
이름 더 보기
캡시아CapsiteCH-19 CapsiateNatural capsiate(4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate 98%(E)-8-Methyl-6-nonenoic acid (4-hydroxy-3-methoxyphenyl)methyl ester
SCHEMBL1585964(6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)-UNII-PX8I7HG5I3E-capsiateCapsiate (Standard)(4-hydroxy-3-meorb1684070
데이터베이스 식별자
- CAS
205687-01-0- PubChem CID
- 9839519
- DTXSID
DTXSID20174575- ChEBI
CHEBI:134190- UNII
- PX8I7HG5I3
- EC Number
- 110-140-5
- Nikkaji
- J1.827.634H、J969.320C
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 338
물리화학적 성질
- 끓는 점
- 421.3 · 421.3±40.0 °C(Predicted)
- 밀도
- 1.053 · 1.053
- 저장 조건
- -20 °C · -20°C
- 용해도
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 9.51 · 9.51±0.20(Predicted)
- 색상
- Colorless to light yellow
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- InChI
- InChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+
- InChIKey
- ZICNYIDDNJYKCP-SOFGYWHQSA-N
- SMILES
- C(OCC1=CC=C(O)C(OC)=C1)(=O)CCCC/C=C/C(C)C
- LogP
- 4.515 · 4.515 (est)
안전 및 규제
GHS 분류
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
응용 분야
용도Capsiate is a capsinoid compound which are non-pungent capsaicin analogs that can promote metabolic health and exercise tolerance.
공급사77 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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风咏生物（AbMole）021-10000000 13000000000 · [email protected]
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Mensura Group Limited18780014153 · [email protected]
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