2H-Pyran-3(4H)-one, dihydro-

HCID 90109CAS 23462-75-1

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCCOC1
InChIKey: URUUZIAJVSGYRC-UHFFFAOYSA-N
Molecular formula: C5H8O2
Average molar mass: 100.12 g/mol
Monoisotopic mass: 100.0524295

Names & identifiers

Preferred name: 2H-Pyran-3(4H)-one, dihydro-
IUPAC: oxan-3-one
English name: 2H-PYRAN-3(4H)-ONE, DIHYDRO-
Molecular formula: C5H8O2
Molecular weight: 100.12

Names & synonyms

Dihydro-2H-pyran-3(4H)-one2H-Pyran-3(4H)-one, dihydro-Tetrahydropyran-3-one3-TetrahydropyranoneDTXSID40178015RefChem:90147DTXCID70100506813-813-8InChI=1/C5H8O2/c6-5-2-1-3-7-4-5/h1-4HURUUZIAJVSGYRC-UHFFFAOYSA-N23462-75-1oxan-3-one

Show more names

DIHYDRO-PYRAN-3-ONEtetrahydro-2H-3-pyranoneTetrahydro-2H-pyran-3-one2H-PYRAN-3(4H)-ONE, DIHYD...2H-Pypan-3(4H)-one, dihydro-Dihydro-2H-pyran-3(4H)-one 97%

dihydropyran-3-oneMFCD001824262H-pyran-3(4H)-oneAKOS006282290PB27461DS-11715EN300-72286LEAD(II)ACETYLACETONATE

Database identifiers

CAS: 23462-75-1
PubChem CID: 90109
DTXSID: DTXSID40178015
EC Number: 813-813-8
Nikkaji: J113.106K

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 78.1

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds

Physicochemical properties

Boiling point: 55 °C · 55 °C(Press: 12 Torr)
Density: 1.0856 g/cm3 · 1.0856 g/cm3
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: liquid
color: Colourless
InChI: InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2
InChIKey: URUUZIAJVSGYRC-UHFFFAOYSA-N
SMILES: C1OCCCC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P312
HazardClass: IRRITANT
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H226 (40%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummarySee Tetrahydropyran and 3,4-Dihydropyran.

Hazard Classes and CategoriesFlam. Liq. 3 (40%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P312

Chemistry & industry

Applications · 1 item

UsesDihydro-2H-pyran-3(4H)-one is a general chemical reagent used in the synthesis of pharmaceuticals such as the preparation of tetrahydropyran-2-yl chromans, a highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE) inhibitor.