4984-85-4

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4984-85-4 Structure

Identification	More
[Name] PROPIOIN
[CAS] 4984-85-4
[Synonyms] PROPIOIN Propyroin NSC 23087 PROPIONOIN Propioin> Propionoine TIMTEC-BB SBB008173 4-Hydroxyhexan-3-on 4-hydroxyhexan-3-one 3-Hydroxy-4-hexanone 4-HYDROXY-3-HEXANONE 4-Hydroxyhexane-3-one 3-Hexanone, 4-hydroxy- (4R)-4-hydroxy-3-hexanone Ethyl alpha-hydroxypropyl ketone
[EINECS(EC#)] 225-637-3
[Molecular Formula] C6H12O2
[MDL Number] MFCD00043572
[Molecular Weight] 116.16
[MOL File] 4984-85-4.mol

Chemical Properties	Back Directory
[Melting point ] -3.75°C (estimate)
[Boiling point ] 167 °C
[density ] 0,95 g/cm³
[refractive index ] 1.4340 (589.3 nm 21℃)
[Fp ] 54 °C
[form ] clear liquid
[pka] 13.03±0.20(Predicted)
[color ] White to Yellow to Green
[InChI] 1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
[InChIKey] SKCYVGUCBRYGTE-UHFFFAOYSA-N
[SMILES] CCC(O)C(=O)CC
[LogP] 0.720 (est)
[CAS DataBase Reference] 4984-85-4(CAS DataBase Reference)

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ] UN 1993C 3 / PGIII
[WGK Germany ] WGK 3
[HS Code ] 2914.40.9000
[HazardClass ] 3
[PackingGroup ] III
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Flam. Liq. 3

Hazard Information	Back Directory
[Uses] Propioin is a useful research chemical used in the preparation of simple acyloins and benzoins.
[Definition] ChEBI: 4-hydroxyhexan-3-one is a hexanone that is hexan-3-one substituted by a hydroxy group at position 4. It is a secondary alcohol, a secondary alpha-hydroxy ketone and a hexanone.

Spectrum Detail	Back Directory
[Spectrum Detail] PROPIOIN(4984-85-4)MS PROPIOIN(4984-85-4)¹HNMR PROPIOIN(4984-85-4)¹³CNMR PROPIOIN(4984-85-4)IR1 PROPIOIN(4984-85-4)Raman

Well-known Reagent Company Product Information	Back Directory
[TCI AMERICA] Propioin,>95.0%(GC)(4984-85-4)

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