(R)-Tetrahydro-3-furoic acid (HCID 4661317)

Names & identifiers

Preferred name: (R)-Tetrahydro-3-furoic acid
IUPAC: oxolane-3-carboxylic acid
English name: Tetrahydro-3-furoic acid
Molecular formula: C5H8O3
Molecular weight: 116.12

Names & synonyms

Oxolane-3-carboxylic Acid(R)-Tetrahydro-3-furoic acidRefChem:407461629-382-2663-296-689364-31-8tetrahydrofuran-3-carboxylic acidTetrahydro-3-furoic acidTetrahydro-3-furancarboxylic acidTetrahydro-furan-3-carboxylic acid3-Furancarboxylic acid, tetrahydro-MFCD00075173

Show more names

3-TetrahydrofuroicRARECHEM AL BE 0888(?-Tetrahydro-3-furoic acid3-Carboxylic tetrahydrofuranTetrahydrofuran-3-carboxy...Tetrahydro-3-furoic acid ,99%Tetrahydrofuran-3-arboxylic acid

CHEMBL22283063-Carboxytetrahydrofuran3-tetrahydrofuroic acidrac-tetrahydro-3-furoic acidSCHEMBL226904(RS)-3-Tetrahydrofuroic acidorb3030421SCHEMBL1025500

Database identifiers

CAS: 89364-31-8
PubChem CID: 4661317
DTXSID: DTXSID00405339
ChEMBL: CHEMBL2228306
EC Number: 629-382-2
Nikkaji: J667.535B

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 99.8

Physicochemical properties

Melting point: 129 · 129-130 °C
Boiling point: 140 °C15 · 140 °C15 mm Hg(lit.)
Density: 1.214 g/mL · 1.214 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4605(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Acetone, Chloroform (Slightly)
pka: 4.33 · 4.33±0.20(Predicted)
form: Liquid
color: Colorless to pale yellow
InChI: InChI=1S/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)
InChIKey: BOTREHHXSQGWTR-UHFFFAOYSA-N
SMILES: O1CCC(C(O)=O)C1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-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 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2932190090 · 2932190090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (97.8%): 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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (97.8%)

Eye Irrit. 2A (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2932190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesTetrahydro-3-furoic acid was used in synthesis of o-ethylphenyl tetrahydro-3-furanyl ketone.

UsesTetrahydro-3-furoic Acid can be used in the synthesis of anti-tumor compounds comprising of hydroxyisovalerylshikonin analogs. Furthermore, the compound is a reagent in the synthesis of class II c-Met inhibitors, in the treatment of c-Met dependant tumors.