CAS 22554-74-1 1,4-Anhydrothreitol (HCID 90803)

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Basic information

CAS: 22554-74-1
Standard SMILES: OC1COCC1O
InChIKey: SSYDTHANSGMJTP-UHFFFAOYSA-N
Molecular formula: C4H8O3
Average molar mass: 104.1 g/mol
Monoisotopic mass: 104.04734412

Names & identifiers

Preferred name: 1,4-Anhydrothreitol
IUPAC: oxolane-3,4-diol
English name: (-)-1,4-Anhydro-L-threitol
Molecular formula: C4H8O3
Molecular weight: 104.1

Names & synonyms

22554-74-1trans-Tetrahydrofuran-3,4-diol1,4-AnhydrothreitolRefChem:415867245-074-7tetrahydrofuran-3,4-dioloxolane-3,4-diol27725-58-23,4-dihydroxy-tetrahydrofuran (trans)MFCD0154579259727-71-8NSC295602

Show more names

NSC 295602L-THREITANERYTHRITANTrans-3,4-Dihydroxy-THFTetrahydro-3,4-furandiol(-)-1,4-Anhydro-L-threitol(-)-1,4-Anhydro-L-threitol

tetrahydro-furan-3,4-diolTetrahydro-3,4-furandiol, (Z)-(3S,4R)-Tetrahydrofuran-3,4-diolMFCD067380693,4-Furandiol,tetrahydro-, (3R,4R)-rel-NSC-295602SB45181EINECS 245-074-7

Database identifiers

CAS: 22554-74-1、4358-64-9、59727-71-8
PubChem CID: 90803
DTXSID: DTXSID20945207
EC Number: 245-074-7
Nikkaji: J796.425K

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Melting point: 37 °C · 37 °C
Boiling point: 102 · 102-215 °C(Press: 0.5-10.0 Torr)
Density: 1.411 · 1.411±0.06 g/cm3(Predicted)
pka: 13.66 · 13.66±0.40(Predicted)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 228 · H228
Precautionary statements: 210 · P210-P240-P241-P280-P370+P378

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.