HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 677Erstellt: 2. November 2026

2,3-Dihydroxy-3-methylbutanoic acid

2,3-dihydroxy-3-methylbutanoic acid · Isoleucine Impurity 40 · 2,3-Dihydroxyisovaleric acid · 2,3-dihidroxy-3-methyl-butanoate · alpha,beta-dihydroxyisovaleric acid · Butanoic acid, 2,3-dihydroxy-3-methyl- · 2,3-dihydroxy-3-methylbutanoic acid, 10 mM in DMSO · 2,3dihydroxy3methylbutanoic acid,2,3 dihydroxy 3 methylbutanoic acid

https://huagongshe.com/de/chemical/677

Molekülstruktur von 2,3-Dihydroxy-3-methylbutanoic acid

Identifikatoren & physikalische Daten

CAS No.	1756-18-9
Summenformel	C5H10O4
Durchschnittliche Molmasse	134,13 g/mol
Monoisotopische Masse	134,0579088 g/mol
SMILES	CC(C)(O)C(O)C(=O)O
InChIKey	JTEYKUFKXGDTEU-UHFFFAOYSA-N
PubChem CID	677
ChEBI	CHEBI:15689
EC No.	821-245-7
DTXSID	DTXSID201292206

Chemische & physikalische Eigenschaften

XLogP	-0,9
Polarare Oberfläche (TPSA)	77,8
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	9
Formalladung	0
Komplexität	118
Schmelzpunkt	94 °C
Siedepunkt	332.2±27.0 °C(Predicted)
Dichte	1.326±0.06 g/cm3(Predicted)
Lagerbedingungen	Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit	Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
pKa (Säurekonstante)	3+-.0.27(Predicted)
Aggregatzustand	Solid
Farbe	Off-White to Pale Beige
Stabilität	Moisture Sensitive

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

2,3-Dihydroxy-3-methylbutanoic acid

CAS No.

1756-18-9

Summenformel

C5H10O4

Durchschnittliche Molmasse

134,13 g/mol

Monoisotopische Masse

134,0579088 g/mol

SMILES

CC(C)(O)C(O)C(=O)O

InChIKey

JTEYKUFKXGDTEU-UHFFFAOYSA-N

PubChem CID

677

ChEBI

CHEBI:15689

EC No.

821-245-7

DTXSID

DTXSID201292206

Chemische & physikalische Eigenschaften

XLogP

-0,9

Polarare Oberfläche (TPSA)

77,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

118

Schmelzpunkt

94 °C

Siedepunkt

332.2±27.0 °C(Predicted)

Dichte

1.326±0.06 g/cm3(Predicted)

Lagerbedingungen

Hygroscopic, -20°C Freezer, Under inert atmosphere

Löslichkeit

Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)

pKa (Säurekonstante)

3+-.0.27(Predicted)

Aggregatzustand

Solid

Farbe

Off-White to Pale Beige

Stabilität

Moisture Sensitive

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Alarmwort

Warnung

Gefahrenhinweise

Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302