(2,5-Dimethylfuran-3-yl)methanol

HCID 10396847CAS 1003-96-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(CO)c(C)o1
InChIKey: YZKVNZQOYBRCPL-UHFFFAOYSA-N
Molecular formula: C7H10O2
Average molar mass: 126.15 g/mol
Monoisotopic mass: 126.06807956

Names & identifiers

Preferred name: (2,5-Dimethylfuran-3-yl)methanol
IUPAC: (2,5-dimethylfuran-3-yl)methanol
English name: (2,5-Dimethyl-3-furyl)methanol
Molecular formula: C7H10O2
Molecular weight: 126.15

Names & synonyms

(2,5-dimethylfuran-3-yl)methanol1003-96-9DTXSID00439154RefChem:205595DTXCID30389976861-594-2(2,5-dimethyl-3-furyl)methanol3-Furanmethanol, 2,5-dimethyl-MFCD116462562,5-dimethyl-3-furanmethanolSCHEMBL3100001CHEMBL4540364

Show more names

YZKVNZQOYBRCPL-UHFFFAOYSA-NALBB-0162852,5-dimethyl-3- hydroxymethylfuranAKOS009358521AS-49349CS-0280239EN300-108594H10999

Database identifiers

CAS: 1003-96-9
PubChem CID: 10396847
DTXSID: DTXSID00439154
ChEMBL: CHEMBL4540364
EC Number: 861-594-2

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 92

Physicochemical properties

Boiling point: 89 · 89-90 °C(Press: 10 Torr)
Density: 1.0483 g/cm3 · 1.0483 g/cm3
pka: 14.2 · 14.20±0.10(Predicted)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H226
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_class: IRRITANT
Hazard statements: H319-H335-H315-H226
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362