4-Hydroxy-4-methyl-2-pentanone

  • Identifiers

    CAS mumber
    123-42-2

    Molecular formula
    C6H12O2

    SMILES
    CC(=O)CC(C)(C)O

    Retention indicies (RI)

    • Carbowax: 1341.5

  • Properties

    XLogP3-AA
    -0.2 Well soluble in ETH, DPG, PG

    Molecular weight
    116.16 g/mol

    Melting points

    • -45 °F (USCG, 1999)
    • -44 °C
    • -44 °C
    • -47 °C
    • -47 °F
    • -47 °F

    Boiling points

    • 328 °F at 760 mmHg (USCG, 1999)
    • 167.9 °C AT 760 MM HG; 108.2 °C AT 100 MM HG; 72.0 °C AT 20 MM HG; 58.8 °C AT 10 MM HG; 22.0 °C AT 1.0 MM HG
    • 164.00 to 166.00 °C. @ 760.00 mm Hg
    • 169-171 °C
    • 334 °F
    • 334 °F

    Flash points

    • 125 °F (USCG, 1999)
    • 66 °C
    • 66 °C (OPEN CUP); COMMERCIAL GRADE IS 8 °C (CLOSED CUP) & 13 °C (OPEN CUP)
    • 58 °C c.c.
    • 125 °F
    • 125 °F

    Solubilities

    • Miscible (NIOSH, 2024)
    • MISCIBLE WITH WATER, ALCOHOL, ETHER, OTHER SOLVENTS
    • Water solubility of 1.0X10+6 mg/l
    • 1000 mg/mL at 25 °C
    • Solubility in water: miscible
    • Miscible

  • Synonyms

    • Diacetone alcohol
    • 4-HYDROXY-4-METHYL-2-PENTANONE
    • 123-42-2
    • 4-Hydroxy-4-methylpentan-2-one
    • Diacetonalkohol
    • Diketone alcohol
    • Diacetonalcohol
    • Diacetone
    • Pyranton
    • Tyranton
    • 2-Pentanone, 4-hydroxy-4-methyl-
    • Acetonyldimethylcarbinol
    • Diacetone-alcool
    • Pyranton A
    • Diacetonalcool
    • 2-Methyl-2-pentanol-4-one
    • Diacetonyl alcohol
    • 4-Hydroxy-2-keto-4-methylpentane
    • 4-Idrossi-4-metil-pentan-2-one
    • Dimethyl acetonyl carbinol
    • 4-Hydroxy-4-methylpentanone-2
    • Caswell No. 280
    • 2-Hydroxy-2-methyl-4-pentanone
    • 4-Hydroxy-4-methyl-pentan-2-on
    • 4-Hydroxy-4-methyl pentan-2-one
    • NSC 9005
    • CCRIS 6177
    • Pyraton
    • HSDB 1152
    • UNII-Q7WP157PTD
    • EINECS 204-626-7
    • Q7WP157PTD
    • EPA Pesticide Chemical Code 033901
    • BRN 1740440
    • DTXSID6024917
    • CHEBI:55381
    • AI3-00045
    • NSC-9005
    • 4-Hydroxy-4-methylpentanone
    • 4-Methyl-2-pentanon-4-ol
    • DTXCID304917
    • 4-Methyl-4-hydroxy-2-pentanone
    • EC 204-626-7
    • 4-01-00-04023 (Beilstein Handbook Reference)
    • (CH3)2C(OH)CH2C(O)CH3
    • Diacetonealcool
    • Diacetonalcohol [Dutch]
    • Diacetonalcool [Italian]
    • Diacetonalkohol [German]
    • Diacetone-alcool [French]
    • CAS-123-42-2
    • Pentanone, 4-hydroxy-4-methyl-
    • UN1148
    • 4-Idrossi-4-metil-pentan-2-one [Italian]
    • 4-hydroxy-4-methyl-pentan-2-one
    • 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]
    • MFCD00004471
    • Diacetonalkohol(german)
    • Diacetone alcohol [UN1148] [Flammable liquid]
    • SCHEMBL28494
    • 2-Methyl-3-pentanol-4-one
    • Hydroxy-4-methyl-2-pentanone
    • DIACETONE ALCOHOL [MI]
    • 4-hydroxy4-methyl-2-pentanone
    • CHEMBL3182048
    • NSC9005
    • 4-methyl-4-oxidanyl-pentan-2-one
    • AAA12342
    • Tox21_201266
    • Tox21_303479
    • BBL027463
    • LMFA12000071
    • STL146354
    • AKOS005721167
    • UN 1148
    • 4-Hydroxy-4-methyl-2-pentanone, 99%
    • WLN: QX1 & 1 & 1V1
    • NCGC00249012-01
    • NCGC00257419-01
    • NCGC00258818-01
    • VS-08543
    • DB-062159
    • H0272
    • NS00001204
    • EN300-19341
    • 4-HYDROXY-4-METHYL-2-PENTANONE [HSDB]
    • 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH)
    • A805073
    • Diacetone alcohol [UN1148] [Flammable liquid]
    • Q421486
    • 4-Hydroxy-4-methyl-2-pentanone, analytical standard
    • DIACETONE ALCOHOL, (FLAMMABLE LIQUID LABEL)
    • DIACETONE ALCOHOL, (COMBUSTIBLE LIQUID LABEL)
    • F0001-0366
    • InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H
    • Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material
    • 204-626-7
1 3

Botanical

Name CAS Botanical Proportion
Osmanthus headspace (living flowers) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 1.31%
Osmanthus headspace (picked flowers) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 1.32%
Osmanthus headspace (picked flowers) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 4.69%
Buddleia asiatica (China) Buddleia asiatica Lour., fam. Loganiaceae 8.96%
Leptospermum javanicum (Malaysia) Leptospermum javanicum Blume, fam. Myrtaceae 0.75%