Diacetone Alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    123-42-2

    Molecular formula
    C6H12O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1341.5

  • Odor profile

    Fruity 83.87%
    Mint 47.71%
    Fresh 46.0%
    Ethereal 43.04%
    Ketonic 42.22%
    Herbal 39.99%
    Fermented 39.67%
    Camphoreous 34.55%
    Sweet 32.64%
    Green 30.81%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.27 [mmHg]. Odor Threshold High: 1.1 [mmHg]. Detection odor threshold from AIHA (mean = 0.27 ppm)
    • Absolute threshold odor concn 0.28 ppm; 100% recognition concn 1.7 ppm
    • Air: 0.28 ul/l; odor safety class B: B= 50-90% of distracted persons perceive warning of TLV. Water: 64 mg/l.

  • Properties

    XLogP3-AA
    -0.2

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

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

    Boiling point

    • 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

    Flash point est.
    59.09 ˚C

    Flash point expt.

    • 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

    Solubility expt.

    • 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

  • Applications

    Diacetone Alcohol (DAA, CAS 123-42-2) is a versatile solvent and chemical intermediate: used in paints, inks, and lacquers as a slow-evaporating coupling solvent/coalescent to dissolve nitrocellulose, CAB, acrylics, epoxies, and polyurethanes, improving wetting, flow/leveling, film formation, and viscosity control; in adhesives, leather finishing, textile dyeing/printing, industrial cleaners and metal degreasing, and paint/ink removers; as a co-solvent for waterborne systems; for electronics cleaning; as a processing/crystallization solvent in agrochemical and pharmaceutical manufacture; and as a precursor to mesityl oxide, methyl isobutyl ketone (MIBK), and hexylene glycol.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2354.46
    methanol 3739.21
    isopropanol 1794.65
    water 535.14
    ethyl acetate 750.05
    n-propanol 1702.74
    acetone 1182.03
    n-butanol 1367.54
    acetonitrile 997.91
    DMF 1673.32
    toluene 193.87
    isobutanol 1148.4
    1,4-dioxane 1202.2
    methyl acetate 887.43
    THF 1725.6
    2-butanone 821.71
    n-pentanol 788.91
    sec-butanol 1357.42
    n-hexane 299.76
    ethylene glycol 1244.85
    NMP 1381.28
    cyclohexane 238.8
    DMSO 675.29
    n-butyl acetate 369.1
    n-octanol 595.13
    chloroform 844.48
    n-propyl acetate 388.88
    acetic acid 2612.45
    dichloromethane 582.41
    cyclohexanone 872.32
    propylene glycol 1501.17
    isopropyl acetate 454.47
    DMAc 1394.32
    2-ethoxyethanol 1021.88
    isopentanol 844.64
    n-heptane 194.13
    ethyl formate 679.75
    1,2-dichloroethane 384.83
    n-hexanol 1243.95
    2-methoxyethanol 2030.68
    isobutyl acetate 251.17
    tetrachloromethane 240.24
    n-pentyl acetate 278.21
    transcutol 1584.83
    n-heptanol 409.89
    ethylbenzene 137.24
    MIBK 410.07
    2-propoxyethanol 1381.26
    tert-butanol 1846.81
    MTBE 830.85
    2-butoxyethanol 560.48
    propionic acid 1409.79
    o-xylene 184.13
    formic acid 1722.36
    diethyl ether 921.32
    m-xylene 194.68
    p-xylene 182.35
    chlorobenzene 203.79
    dimethyl carbonate 331.62
    n-octane 66.44
    formamide 885.93
    cyclopentanone 909.27
    2-pentanone 671.5
    anisole 292.41
    cyclopentyl methyl ether 855.49
    gamma-butyrolactone 1138.21
    1-methoxy-2-propanol 1395.18
    pyridine 486.96
    3-pentanone 523.56
    furfural 758.57
    n-dodecane 56.42
    diethylene glycol 1150.17
    diisopropyl ether 290.09
    tert-amyl alcohol 1248.76
    acetylacetone 601.47
    n-hexadecane 57.62
    acetophenone 251.33
    methyl propionate 679.48
    isopentyl acetate 304.25
    trichloroethylene 561.19
    n-nonanol 478.05
    cyclohexanol 1016.6
    benzyl alcohol 325.92
    2-ethylhexanol 474.14
    isooctanol 281.55
    dipropyl ether 451.85
    1,2-dichlorobenzene 174.22
    ethyl lactate 294.95
    propylene carbonate 601.37
    n-methylformamide 1202.22
    2-pentanol 923.27
    n-pentane 309.46
    1-propoxy-2-propanol 795.49
    1-methoxy-2-propyl acetate 434.18
    2-(2-methoxypropoxy) propanol 499.46
    mesitylene 135.38
    ε-caprolactone 828.88
    p-cymene 112.96
    epichlorohydrin 824.12
    1,1,1-trichloroethane 477.5
    2-aminoethanol 1706.55
    morpholine-4-carbaldehyde 1255.44
    sulfolane 784.17
    2,2,4-trimethylpentane 115.09
    2-methyltetrahydrofuran 1147.01
    n-hexyl acetate 592.51
    isooctane 90.13
    2-(2-butoxyethoxy)ethanol 738.2
    sec-butyl acetate 266.14
    tert-butyl acetate 468.66
    decalin 99.09
    glycerin 1590.14
    diglyme 940.79
    acrylic acid 1132.9
    isopropyl myristate 204.87
    n-butyric acid 1226.18
    acetyl acetate 485.46
    di(2-ethylhexyl) phthalate 182.4
    ethyl propionate 400.98
    nitromethane 1764.42
    1,2-diethoxyethane 408.12
    benzonitrile 293.37
    trioctyl phosphate 159.53
    1-bromopropane 387.35
    gamma-valerolactone 1234.32
    n-decanol 326.23
    triethyl phosphate 142.44
    4-methyl-2-pentanol 446.4
    propionitrile 722.85
    vinylene carbonate 529.18
    1,1,2-trichlorotrifluoroethane 813.79
    DMS 330.75
    cumene 120.58
    2-octanol 310.26
    2-hexanone 428.28
    octyl acetate 292.35
    limonene 206.63
    1,2-dimethoxyethane 1155.77
    ethyl orthosilicate 149.64
    tributyl phosphate 184.82
    diacetone alcohol 627.5
    N,N-dimethylaniline 223.94
    acrylonitrile 668.72
    aniline 371.24
    1,3-propanediol 1436.05
    bromobenzene 145.14
    dibromomethane 437.92
    1,1,2,2-tetrachloroethane 516.36
    2-methyl-cyclohexyl acetate 241.22
    tetrabutyl urea 240.37
    diisobutyl methanol 196.78
    2-phenylethanol 342.59
    styrene 139.69
    dioctyl adipate 260.88
    dimethyl sulfate 382.68
    ethyl butyrate 272.54
    methyl lactate 473.44
    butyl lactate 275.18
    diethyl carbonate 181.48
    propanediol butyl ether 702.06
    triethyl orthoformate 207.54
    p-tert-butyltoluene 124.6
    methyl 4-tert-butylbenzoate 320.12
    morpholine 1515.54
    tert-butylamine 1156.22
    n-dodecanol 245.53
    dimethoxymethane 990.55
    ethylene carbonate 486.1
    cyrene 392.35
    2-ethoxyethyl acetate 338.93
    2-ethylhexyl acetate 236.87
    1,2,4-trichlorobenzene 222.58
    4-methylpyridine 537.44
    dibutyl ether 362.24
    2,6-dimethyl-4-heptanol 196.78
    DEF 778.48
    dimethyl isosorbide 583.21
    tetrachloroethylene 374.53
    eugenol 322.52
    triacetin 417.08
    span 80 528.43
    1,4-butanediol 649.82
    1,1-dichloroethane 558.62
    2-methyl-1-pentanol 510.73
    methyl formate 960.08
    2-methyl-1-butanol 921.81
    n-decane 100.73
    butyronitrile 641.45
    3,7-dimethyl-1-octanol 415.38
    1-chlorooctane 246.39
    1-chlorotetradecane 102.5
    n-nonane 108.52
    undecane 71.91
    tert-butylcyclohexane 115.26
    cyclooctane 96.16
    cyclopentanol 1108.92
    tetrahydropyran 1160.43
    tert-amyl methyl ether 654.59
    2,5,8-trioxanonane 666.13
    1-hexene 476.06
    2-isopropoxyethanol 635.19
    2,2,2-trifluoroethanol 899.08
    methyl butyrate 480.39

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

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%