Methyl-2-hydroxy-4-methylvalerat

Methyl 2-hydroxy-4-methylpentanoate

HCID 62908
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Grundinformationen

CAS
40348-72-9
Standard-SMILES
COC(=O)C(O)CC(C)C
InChIKey
JOSNYUDSMPILKL-UHFFFAOYSA-N
Summenformel
C7H14O3
Durchschnittliche Molmasse
146,18 g/mol
Monoisotopische Masse
146,09429431

Überblick

Methyl DL-Leucate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Methyl 2-hydroxy-4-methylpentanoate
IUPAC
methyl 2-hydroxy-4-methylpentanoate
Lokaler Name
Methyl-2-hydroxy-4-methylvalerat
Englischer Name
methyl 2-hydroxy-4-methylvalerate
Summenformel
C7H14O3
Molmasse
146.18

Namen und Synonyme

Methyl 2-hydroxy-4-methylpentanoate40348-72-9Methyl 2-hydroxy-4-methylvalerateMethyl 2-hydroxyisocaproatePentanoic acid, 2-hydroxy-4-methyl-, methyl esterValeric acid, 2-hydroxy-4-methyl-, methyl esterFEMA No. 3706methyl 2-hydroxy-4-methyl valerateG89113PPP5EINECS 254-883-4DTXSID60865995METHYL 2-HYDROXY-4-METHYLPENTANOATE [FHFI]
Weitere Namen anzeigen
METHYL-2-HYDROXY-4-METHYLPENTANOATEMethyl DL-2-Hydroxy-4-Methylvalerate4-Methyl-2-hydroxypentanoic acid methyl estermethyl 2-hydroxy-4-methylvalerate, 10 mM in DMSOaromatic,volatile,inhibit,vinegar,methyl 2 hydroxy 4 methylvalerate,microbiota,dominant,methyl 2hydroxy4methylvalerate,Zhenjiang,Inhibitor
RefChem:814462DTXCID30814339(+-)-METHYL 2-HYDROXY-4-METHYLPENTANOATEMETHYL 2-HYDROXY-4-METHYLPENTANOATE-(+-)-254-883-4Methyl DL-LeucateMFCD166938322-hydroxy-4-methylpentanoic acid methyl ester

Datenbank-Bezeichner

CAS
40348-72-9
PubChem CID
62908
DTXSID
DTXSID60865995
ChEBI
CHEBI:169035
UNII
G89113PPP5
EC Number
254-883-4
Nikkaji
J127.946G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.951-0.957
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

slightly soluble in water; soluble in fat

(in ethanol)

Boiling Point72 °C (10 mm Hg)

Physikochemische Eigenschaften

Siedepunkt
80 · 80-82 °C(Press: 18-20 Torr)
Dichte
1.002 · 1.002±0.06 g/cm3(Predicted)
FEMA
3706 · 3706 | METHYL 2-HYDROXY-4-METHYLPENTANOATE
storage temp.
Refrigerator, under inert atmosphere
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka
13.07 · 13.07±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester

Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Anwendungen

BeschreibungMethyl 2-hydroxy-4-methylpentanoate has a sweet, fruity, musty odor.

OccurrenceReported found in guanabana

Anbieter23 Anbieter

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]

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