5-(Hydroxymethyl)oxolan-2-one

HCID 98431

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Basic information

CAS: 10374-51-3
Standard SMILES: O=C1CCC(CO)O1
InChIKey: NSISJFFVIMQBRN-UHFFFAOYSA-N
Molecular formula: C5H8O3
Average molar mass: 116.11 g/mol
Monoisotopic mass: 116.04734412

Overview

See also: (5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone (annotation moved to).

Names & identifiers

Preferred name: 5-(Hydroxymethyl)oxolan-2-one
IUPAC: 5-(hydroxymethyl)oxolan-2-one
English name: 5-(hydroxymethyl)dihydrofuran-2(3H)-one
Molecular formula: C5H8O3
Molecular weight: 116.12

Names & synonyms

5-(hydroxymethyl)oxolan-2-oneDTXSID00954438RefChem:531305DTXCID901474059839-228-85-(hydroxymethyl)dihydrofuran-2(3H)-one10374-51-35-Hydroxymethyl-dihydro-furan-2-one5-(hydroxymethyl)tetrahydrofuran-2-one2(3H)-Furanone, dihydro-5-(hydroxymethyl)-MFCD005062405-(Hydroxymethyl)dihydro-2(3H)-furanone

Show more names

5-(hydroxymethyl)-2-oxolanone5-hydroxymethyl-4,5-dihydrofuranone2(3H)-Furanone,dihydro-5-(hydroxymethyl)-5-(hydroxymethyl)dihydrofuran-2(3H)-oneracemate

5-Hydroxymethyldihydrofuran-2-one(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone(R)-(-)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone5-(Hydroxymethyl)oxolane-2-one(S)-(+)-2',3'-DideoxyribonolactoneNSC1283805-(Hydroxymethyl)dihydro-2(3H)-furanone #NSC 128380

Database identifiers

CAS: 10374-51-3、32780-06-6
PubChem CID: 98431
DTXSID: DTXSID001347209
EC Number: 839-228-8
Nikkaji: J863.458K

Properties

Computed structural properties

XLogP: -0.4
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

Boiling point: 163 °C · 163 °C(Press: 10 Torr)
Density: 1.224 · 1.224±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Thick Oil
pka: 14.12 · 14.12±0.10(Predicted)
color: Colourless
optical activity: -0.45 ° · -0.45°(C=1.00g/100mL, CHCL3, 20°C, 589nm)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses5-(Hydroxymethyl)dihydrofuran-2(3H)-one (cas# 10374-51-3) potentially has an antimicrobial and antioxidant activity against rice pathogens such as Magnaporthe oryzae and Xanthomonas oryzae. Another study also suggests that this compound possesses antioxidant properties through investigation of pineapple plant waste biomass.