Sodium Dehydroacetate

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  • Identifiers

    CAS number
    4418-26-2

    Molecular formula
    C8H7NaO4

    SMILES
    CC1=CC(=O)[C-](C(=O)O1)C(=O)C.[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 54.25%
    Caramellic 35.18%
    Burnt 34.87%
    Nutty 25.52%
    Sour 23.45%
    Fruity 21.56%
    Roasted 20.83%
    Sweet 19.12%
    Bitter 19.1%
    Buttery 18.37%

     

    Flavor
    Sweet 31.73%
    Nutty 28.67%
    Fruity 28.35%
    Caramel 26.03%
    Odorless 23.93%
    Musty 23.6%
    Bitter 22.75%
    Phenolic 22.53%
    Bread 22.07%
    Baked 21.48%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    3.75 (weak acid)

    Molecular weight
    190.13 g/mol

    Flash point

    • 130.08 ˚C est.

    Solubility expt.

    • Soluble (NTP, 1992)
    • INSOL IN MOST ORGANIC SOLVENTS /HYDRATE/

  • Synonyms

    • Harven
    • DHA-sodium
    • Prevan
    • New Side S 01
    • Dehydroacetic acid, sodium salt
    • DHA-S
    • Sodium Dehydroacetic Acid
    • Sodium 3-acetyl-6-methyl-2,4-pyrandione
    • DTXSID7026029
    • Kyselina dehydroacetova sodna sul
    • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium
    • 8W46YN971G
    • Sodium 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
    • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt
    • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt
    • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, monosodium salt
    • 3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt
    • 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative
    • RefChem:183852
    • sodium 3-acetyl-6-methyl-4-oxo-4H-pyran-2-olate
    • 224-580-1
    • 4418-26-2
    • DTXCID806029
    • Sodium Dehydroacetate
    • sodium 3-acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2H-pyran-3-ide
    • dehydroacetic acid sodium
    • Dehydroacetic acid (sodium)
    • Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate
    • Sodium dehydroacetate (NF)
    • Sodium dehydroacetate [NF]
    • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium
    • Caswell No. 278A
    • CCRIS 1895
    • HSDB 4236
    • EINECS 224-580-1
    • SDHA
    • EPA Pesticide Chemical Code 027802
    • Kyselina dehydroacetova sodna sul [Czech]
    • SCHEMBL41961
    • UNII-8W46YN971G
    • orb1305932
    • SCHEMBL1532492
    • YIOCQGHBBNGBND-UHFFFAOYSA-N
    • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt
    • AKOS024462917
    • Dehydroacetic acid (sodium) (Standard)
    • FD70868
    • HY-128467R
    • DEHYDROACETIC ACID, SODIUM DERIV.
    • HY-128467
    • CS-0099505
    • D05856
    • F71232
    • sodium;3-acetyl-6-methyl-pyran-3-ide-2,4-dione
    • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)
    • 4418-26-2

  • Applications

    Sodium Dehydroacetate (CAS 4418-26-2) is primarily used as a preservative in cosmetics and personal care, providing antimicrobial protection against yeasts and molds in products such as moisturizers, cleansers, and shampoos. It is also employed in household cleaning formulations and other household products as a preservative/antimicrobial additive to limit microbial growth. In some food processing applications where permitted by regulation, it may be used as a preservative to extend shelf life. In industrial sectors, it can be evaluated for use as an antimicrobial additive in polymer systems, coatings, and inks, depending on formulation pH and concentration requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.02
    methanol 49.66
    isopropanol 28.7
    water 6.13
    ethyl acetate 125.41
    n-propanol 27.35
    acetone 192.0
    n-butanol 28.97
    acetonitrile 164.78
    DMF 451.41
    toluene 12.81
    isobutanol 22.16
    1,4-dioxane 161.85
    methyl acetate 127.36
    THF 287.74
    2-butanone 65.39
    n-pentanol 25.14
    sec-butanol 22.06
    n-hexane 2.76
    ethylene glycol 34.95
    NMP 448.23
    cyclohexane 2.75
    DMSO 241.67
    n-butyl acetate 48.32
    n-octanol 22.56
    chloroform 48.72
    n-propyl acetate 71.33
    acetic acid 144.34
    dichloromethane 72.06
    cyclohexanone 110.42
    propylene glycol 38.35
    isopropyl acetate 69.23
    DMAc 324.1
    2-ethoxyethanol 77.28
    isopentanol 27.31
    n-heptane 2.7
    ethyl formate 158.67
    1,2-dichloroethane 50.79
    n-hexanol 25.49
    2-methoxyethanol 168.68
    isobutyl acetate 38.57
    tetrachloromethane 7.07
    n-pentyl acetate 31.84
    transcutol 135.11
    n-heptanol 14.02
    ethylbenzene 12.39
    MIBK 53.48
    2-propoxyethanol 99.73
    tert-butanol 44.42
    MTBE 25.24
    2-butoxyethanol 42.33
    propionic acid 73.06
    o-xylene 14.06
    formic acid 89.55
    diethyl ether 31.74
    m-xylene 16.05
    p-xylene 18.03
    chlorobenzene 30.4
    dimethyl carbonate 140.71
    n-octane 1.54
    formamide 168.35
    cyclopentanone 194.53
    2-pentanone 76.58
    anisole 56.63
    cyclopentyl methyl ether 83.59
    gamma-butyrolactone 348.82
    1-methoxy-2-propanol 134.82
    pyridine 75.07
    3-pentanone 46.57
    furfural 364.98
    n-dodecane 2.7
    diethylene glycol 118.63
    diisopropyl ether 12.97
    tert-amyl alcohol 28.76
    acetylacetone 201.94
    n-hexadecane 3.06
    acetophenone 70.23
    methyl propionate 121.51
    isopentyl acetate 36.95
    trichloroethylene 94.4
    n-nonanol 21.9
    cyclohexanol 32.28
    benzyl alcohol 49.01
    2-ethylhexanol 20.23
    isooctanol 12.65
    dipropyl ether 25.71
    1,2-dichlorobenzene 37.3
    ethyl lactate 73.16
    propylene carbonate 221.14
    n-methylformamide 218.92
    2-pentanol 20.1
    n-pentane 1.91
    1-propoxy-2-propanol 64.21
    1-methoxy-2-propyl acetate 92.86
    2-(2-methoxypropoxy) propanol 76.85
    mesitylene 12.26
    ε-caprolactone 130.96
    p-cymene 12.35
    epichlorohydrin 240.73
    1,1,1-trichloroethane 47.51
    2-aminoethanol 41.67
    morpholine-4-carbaldehyde 361.15
    sulfolane 350.01
    2,2,4-trimethylpentane 1.9
    2-methyltetrahydrofuran 107.23
    n-hexyl acetate 53.22
    isooctane 1.72
    2-(2-butoxyethoxy)ethanol 90.16
    sec-butyl acetate 40.38
    tert-butyl acetate 69.24
    decalin 4.22
    glycerin 78.57
    diglyme 147.87
    acrylic acid 98.48
    isopropyl myristate 26.96
    n-butyric acid 87.49
    acetyl acetate 134.95
    di(2-ethylhexyl) phthalate 34.59
    ethyl propionate 85.19
    nitromethane 472.32
    1,2-diethoxyethane 40.42
    benzonitrile 72.86
    trioctyl phosphate 26.17
    1-bromopropane 18.36
    gamma-valerolactone 348.03
    n-decanol 18.98
    triethyl phosphate 38.67
    4-methyl-2-pentanol 17.34
    propionitrile 68.81
    vinylene carbonate 213.55
    1,1,2-trichlorotrifluoroethane 163.2
    DMS 86.65
    cumene 12.23
    2-octanol 12.54
    2-hexanone 52.5
    octyl acetate 35.28
    limonene 16.43
    1,2-dimethoxyethane 185.15
    ethyl orthosilicate 31.11
    tributyl phosphate 34.14
    diacetone alcohol 104.91
    N,N-dimethylaniline 44.09
    acrylonitrile 128.1
    aniline 35.55
    1,3-propanediol 58.43
    bromobenzene 23.34
    dibromomethane 33.57
    1,1,2,2-tetrachloroethane 68.36
    2-methyl-cyclohexyl acetate 43.29
    tetrabutyl urea 48.6
    diisobutyl methanol 15.72
    2-phenylethanol 46.93
    styrene 13.74
    dioctyl adipate 47.19
    dimethyl sulfate 212.85
    ethyl butyrate 54.64
    methyl lactate 129.4
    butyl lactate 40.49
    diethyl carbonate 50.4
    propanediol butyl ether 51.32
    triethyl orthoformate 39.76
    p-tert-butyltoluene 12.08
    methyl 4-tert-butylbenzoate 66.41
    morpholine 143.41
    tert-butylamine 20.71
    n-dodecanol 16.14
    dimethoxymethane 233.54
    ethylene carbonate 159.36
    cyrene 125.53
    2-ethoxyethyl acetate 56.49
    2-ethylhexyl acetate 28.38
    1,2,4-trichlorobenzene 45.16
    4-methylpyridine 87.11
    dibutyl ether 23.33
    2,6-dimethyl-4-heptanol 15.72
    DEF 130.84
    dimethyl isosorbide 158.0
    tetrachloroethylene 35.19
    eugenol 73.33
    triacetin 75.32
    span 80 63.05
    1,4-butanediol 28.52
    1,1-dichloroethane 42.88
    2-methyl-1-pentanol 23.46
    methyl formate 297.43
    2-methyl-1-butanol 23.07
    n-decane 3.38
    butyronitrile 69.57
    3,7-dimethyl-1-octanol 25.28
    1-chlorooctane 12.93
    1-chlorotetradecane 8.1
    n-nonane 2.88
    undecane 3.0
    tert-butylcyclohexane 3.97
    cyclooctane 1.38
    cyclopentanol 49.9
    tetrahydropyran 63.71
    tert-amyl methyl ether 26.07
    2,5,8-trioxanonane 128.21
    1-hexene 10.58
    2-isopropoxyethanol 51.73
    2,2,2-trifluoroethanol 94.72
    methyl butyrate 110.06

    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