Butylphthalide
Grundinformationen
- CAS
685886-82-2- Standard-SMILES
CCCCC1OC(=O)c2ccccc21- InChIKey
HJXMNVQARNZTEE-UHFFFAOYSA-N- Summenformel
- C12H14O2
- Durchschnittliche Molmasse
- 190,24 g/mol
Überblick
Butylphthalide is a member of benzofurans.
Namen und Bezeichner
- Bevorzugter Name
- Butylphthalide
- IUPAC
- 3-butyl-3H-2-benzofuran-1-one
- Englischer Name
- Butylphthalide impurity
- Summenformel
- C12H15KO3
- Molmasse
- 246.35
Namen und Synonyme
Butylphthalide6066-49-53-n-Butylphthalide3-BUTYLPHTHALIDEN-butylphthalide3-Butyl-1(3H)-isobenzofuranonePhthalide, 3-butyl-1(3H)-Isobenzofuranone, 3-butyl-3-butyl-3H-2-benzofuran-1-onedl-3-n-butylphthalideFEMA No. 3334DTXSID50863687
Weitere Namen anzeigen
potassium 2-(1-hydroxypentyl)benzoaten-Butylphthalide-025-KButylphthalide Impurity 253-Butylphthalide Impurity E3-Butylphthalide Impurity 24Butyphthalide Impurity(Potassium Salt)Butyphthalide impurity 22(Potassium Salt)Butylphthalide Impurity 26 Potassium SaltPotassium-Hydroxypentyl Benzoate 685886-82-2Benzoic acid, 2-(1-hydroxypentyl)-, potassium salt (1:1)
822Q956KGMbutilftalidabutylphthalidumRefChem:30840DTXCID70812273228-000-83-butylisobenzofuran-1(3H)-one3-N-BUTYLPHATHLIDE
Datenbank-Bezeichner
- CAS
685886-82-2- ChEMBL
CHEMBL248594- ChEBI
CHEBI:177504- UNII
- 822Q956KGM
- EC Number
- 228-000-8
- Nikkaji
- J15.116E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 212
Experimentelle und physikochemische Eigenschaften
LogP
2.800
2.8
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.068-1.074
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; soluble in oil
soluble (in ethanol)
Boiling Point
177.00 to 178.00 °C. @ 15.00 mm Hg
113 °C (0.2 mm Hg)
Refractive Index1.524-1.529
Physical Descriptioncolourless, oily liquid; warm-spicy herbaceous aroma
Physikochemische Eigenschaften
- storage temp.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 68.8% (88 of 128) of all reports.
Warning
H315 (31.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1(3H)-Isobenzofuranone, 3-butyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1(3H)-Isobenzofuranone, 3-butyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1(3H)-Isobenzofuranone, 3-butyl-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (31.2%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1(3H)-Isobenzofuranone, 3-butyl-: ACTIVE
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