(-)-2-Hydroxy-3-methylbutyric acid

HCID 5289545

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Grundinformationen

CAS: 17407-56-6
Standard-SMILES: CC(C)[C@@H](O)C(=O)O
InChIKey: NGEWQZIDQIYUNV-SCSAIBSYSA-N
Summenformel: C5H10O3
Durchschnittliche Molmasse: 118,13 g/mol
Monoisotopische Masse: 118,06299418

Namen und Bezeichner

Bevorzugter Name: (-)-2-Hydroxy-3-methylbutyric acid
IUPAC: (2R)-2-hydroxy-3-methylbutanoic acid
Englischer Name: (2R)-2-Hydroxy-3-methylbutyric acid
Summenformel: C5H10O3
Molmasse: 118.13

Namen und Synonyme

17407-56-6(R)-2-hydroxy-3-methylbutanoic acidD-alpha-Hydroxyisovaleric acidButanoic acid, 2-hydroxy-3-methyl-, (2R)-(R)-2-hydroxyisovaleric acidd-2-hydroxyisovaleric acid2-Hydroxyisovaleric acid, (R)-(R)-(-)-2-Hydroxyisovaleric acid(-)-2-Hydroxy-3-methylbutyric acid(-)-2-Hydroxyisovaleric acid(-)-alpha-Hydroxyisovaleric acidIDC1ORH8V7

Weitere Namen anzeigen

EOS-60974D-Valic acid2-hydroxy-3-Methyl-d-α-hydroxyisovaleric acidD-a-Hydroxyisovaleric acidD-α-HYDROXYISOVALERIC ACID(2R)-2-Hydroxyisovaleric acidD-ALPHA-HYDROXYSOVALERIC ACID)

(2R)-3-Methyl-2-hydroxybutanoic acidButyric acid, 2-hydroxy-3-methyl-, D-Butanoic acid, 2-hydroxy-3-methyl-, (R)-RefChem:473464(2R)-2-hydroxy-3-methylbutanoic acid(R)-2-Hydroxy-3-methylbutyric acidDEAMINOHYDROXYVALINEMFCD00066442

Datenbank-Bezeichner

CAS: 17407-56-6
PubChem CID: 5289545
DTXSID: DTXSID001360093
ChEMBL: CHEMBL1162481
ChEBI: CHEBI:46415
UNII: IDC1ORH8V7
EC Number: 605-705-2
Nikkaji: J57.263B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 87

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-67 °C
Siedepunkt: 237.6 · 237.6±13.0 °C(Predicted)
Dichte: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 3.87 · 3.87±0.16(Predicted)
Aggregatzustand: solid
BRN: 1721139 · 1721139
InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey: NGEWQZIDQIYUNV-SCSAIBSYSA-N
SMILES: C(O)(=O)[C@H](O)C(C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

F: 3-10
wgk: 3
hs_code: 2915601990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenD-α-Hydroxyisovaleric acid may be used in the preparation of biodegradable, optically active and isotactic poly(D-2-hydroxy-3-methylbutanoic acid).