CAS 17407-56-6 (-)-2-Hydroxy-3-methylbutyric acid (HCID 5289545)

Names & identifiers

Preferred name: (-)-2-Hydroxy-3-methylbutyric acid
IUPAC: (2R)-2-hydroxy-3-methylbutanoic acid
English name: (2R)-2-Hydroxy-3-methylbutyric acid
Molecular formula: C5H10O3
Molecular weight: 118.13

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 87

Physicochemical properties

Melting point: 64 · 64-67 °C
Boiling point: 237.6 · 237.6±13.0 °C(Predicted)
Density: 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)
form: solid
Appearance: Off-white to yellow Solid
optical activity: 20 · [α]20/D 17±1°, c = 1% in chloroform
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
FDA UNII: 1 ORH8V7 · IDC1ORH8V7
UNSPSC Code: 51113400 · 51113400
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 3 · 3-10
HS Code: 2915601990 · 2915601990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2915601990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

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

Suppliers81 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Additional notes · 1 item

DefinitionChEBI: (R)-2-hydroxy-3-methylbutyric acid is the R-enantiomer of 2-hydroxy-3-methylbutyric acid. It is functionally related to a D-valine. It is a conjugate acid of a (R)-2-hydroxy-3-methylbutyrate. It is an enantiomer of a (S)-2-hydroxy-3-methylbutyric acid.