Capsiate
Grundinformationen
- CAS
205687-01-0- Standard-SMILES
COc1cc(COC(=O)CCCC/C=C/C(C)C)ccc1O- InChIKey
ZICNYIDDNJYKCP-SOFGYWHQSA-N- Summenformel
- C18H26O4
- Durchschnittliche Molmasse
- 306,4 g/mol
- Monoisotopische Masse
- 306,18310931
Namen und Bezeichner
- Bevorzugter Name
- Capsiate
- IUPAC
- (4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate
- Englischer Name
- CAPSIATE
- Summenformel
- C18H26O4
- Molmasse
- 306.4
Namen und Synonyme
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
Weitere Namen anzeigen
CapsiteCH-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
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 338
Physikochemische Eigenschaften
- Siedepunkt
- 421.3 · 421.3±40.0 °C(Predicted)
- Dichte
- 1.053 · 1.053
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
- Aggregatzustand
- A liquid
- pka
- 9.51 · 9.51±0.20(Predicted)
- Farbe
- Colorless to light yellow
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- 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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
VerwendenCapsiate is a capsinoid compound which are non-pungent capsaicin analogs that can promote metabolic health and exercise tolerance.
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