3-(Oxolan-2-yl)propanoic acid

HCID 263161CAS 935-12-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)CCC1CCCO1
InChIKey: WUPHOULIZUERAE-UHFFFAOYSA-N
Molecular formula: C7H12O3
Average molar mass: 144.17 g/mol
Monoisotopic mass: 144.07864424

Names & identifiers

Preferred name: 3-(Oxolan-2-yl)propanoic acid
IUPAC: 3-(oxolan-2-yl)propanoic acid
English name: 3-(Tetrahydro-furan-2-yl)-propionic acid
Molecular formula: C7H12O3
Molecular weight: 144.17

Names & synonyms

3-(oxolan-2-yl)propanoic acidDTXSID50294634RefChem:495772DTXCID60245773854-448-4935-12-63-(Tetrahydrofuran-2-yl)propionic acid3-(tetrahydrofuran-2-yl)propanoic acid3-(Tetrahydro-furan-2-yl)-propionic acid3-(tetrahydro-2-furanyl)propanoic acidMFCD034124853-tetrahydrofuran-2-ylpropanoic acid

Show more names

AKOS AUF2110RARECHEM AK ML 0047ASINEX-REAG BAS 077569712-Furanpropanoic acid, tetrahydro-3-(tetrahydro-2-furanyl)propanoic acid(SALTDATA: FREE)

timtec-bb sbb0054493-(tetrahydrofuryl) propionic acid3-oxolan-2-ylpropanoic acidNSC975103-(Tetrahydrofuran-2-yl)propionicacidakos au36-m219SCHEMBL985927ALBB-005307

Database identifiers

CAS: 935-12-6
PubChem CID: 263161
DTXSID: DTXSID50294634
EC Number: 854-448-4
Nikkaji: J1.639.108E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 263 °C · 263°C (estimate)
Density: 1.1135 · 1.1135
refractive index: 1.4578 · 1.4578 (estimate)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H318
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2932190090 · 2932190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2932190090
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H335-H315-H318
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310