Sodium citronellate

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  • Identifiers

    CAS number
    757245-27-5

    Molecular formula
    C10H17NaO2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 68.18%
    Waxy 50.49%
    Citrus 50.45%
    Green 49.02%
    Rose 45.29%
    Fatty 41.78%
    Sweet 39.93%
    Herbal 34.58%
    Woody 33.48%
    Fruity 33.37%

     

    Flavor
    Floral 54.52%
    Herbal 49.2%
    Woody 43.11%
    Green 40.9%
    Fruity 36.5%
    Sweet 33.77%
    Citrus 30.11%
    Spicy 28.46%
    Waxy 28.0%
    Orange 25.91%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    5.83 (weak acid)

    Molecular weight
    192.23 g/mol

    Flash point

    • 105.92 ˚C est.

  • Synonyms

    • Sodium citronellate
    • Oristar SCT
    • Citronellic acid, sodium salt
    • UNII-DB0DOS1B81
    • DB0DOS1B81
    • 6-Octenoic acid, 3,7-dimethyl-, sodium salt
    • 757245-27-5
    • 6-Octenoic acid, 3,7-dimethyl-, sodium salt (1:1)
    • SCHEMBL29908535
    • DTXSID30997131
    • Sodium 3,7-dimethyloct-6-enoate
    • Q27276309
    • 757245-27-5

  • Applications

    Sodium citronellate (CAS 757245-27-5) is used primarily as an intermediate in fragrance chemistry, acting as a precursor for citronellal- and related aroma-esters and other fragrance materials for perfumery. It may also be employed in cosmetics and personal care formulations and in household products as a fragrance component or starting material for aroma-chemical synthesis, and it can serve as a chemical building block in industrial manufacturing of aroma compounds; its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1060.24
    methanol 1273.95
    isopropanol 914.74
    water 2.21
    ethyl acetate 299.44
    n-propanol 681.8
    acetone 558.02
    n-butanol 623.07
    acetonitrile 327.33
    DMF 652.25
    toluene 110.93
    isobutanol 474.59
    1,4-dioxane 931.43
    methyl acetate 253.57
    THF 1069.06
    2-butanone 328.68
    n-pentanol 421.89
    sec-butanol 552.07
    n-hexane 91.3
    ethylene glycol 245.22
    NMP 427.58
    cyclohexane 80.67
    DMSO 508.45
    n-butyl acetate 265.98
    n-octanol 245.92
    chloroform 609.53
    n-propyl acetate 178.57
    acetic acid 585.21
    dichloromethane 359.79
    cyclohexanone 488.2
    propylene glycol 547.02
    isopropyl acetate 206.46
    DMAc 363.56
    2-ethoxyethanol 434.65
    isopentanol 482.04
    n-heptane 43.25
    ethyl formate 201.53
    1,2-dichloroethane 233.95
    n-hexanol 602.28
    2-methoxyethanol 856.35
    isobutyl acetate 145.51
    tetrachloromethane 83.49
    n-pentyl acetate 156.5
    transcutol 1318.63
    n-heptanol 233.44
    ethylbenzene 91.52
    MIBK 221.68
    2-propoxyethanol 681.89
    tert-butanol 1072.65
    MTBE 417.11
    2-butoxyethanol 331.38
    propionic acid 381.88
    o-xylene 98.26
    formic acid 212.85
    diethyl ether 321.35
    m-xylene 128.5
    p-xylene 114.35
    chlorobenzene 154.75
    dimethyl carbonate 78.38
    n-octane 19.15
    formamide 211.76
    cyclopentanone 490.14
    2-pentanone 293.78
    anisole 220.04
    cyclopentyl methyl ether 376.69
    gamma-butyrolactone 472.32
    1-methoxy-2-propanol 709.63
    pyridine 312.21
    3-pentanone 163.85
    furfural 411.45
    n-dodecane 16.82
    diethylene glycol 528.67
    diisopropyl ether 115.16
    tert-amyl alcohol 609.63
    acetylacetone 298.8
    n-hexadecane 18.7
    acetophenone 163.43
    methyl propionate 200.46
    isopentyl acetate 256.33
    trichloroethylene 440.83
    n-nonanol 204.21
    cyclohexanol 515.37
    benzyl alcohol 230.43
    2-ethylhexanol 271.75
    isooctanol 175.26
    dipropyl ether 194.3
    1,2-dichlorobenzene 147.09
    ethyl lactate 138.3
    propylene carbonate 283.64
    n-methylformamide 323.78
    2-pentanol 438.92
    n-pentane 60.75
    1-propoxy-2-propanol 514.5
    1-methoxy-2-propyl acetate 293.72
    2-(2-methoxypropoxy) propanol 343.53
    mesitylene 95.09
    ε-caprolactone 391.88
    p-cymene 77.0
    epichlorohydrin 517.56
    1,1,1-trichloroethane 279.1
    2-aminoethanol 541.67
    morpholine-4-carbaldehyde 560.09
    sulfolane 489.27
    2,2,4-trimethylpentane 33.34
    2-methyltetrahydrofuran 653.0
    n-hexyl acetate 287.61
    isooctane 36.41
    2-(2-butoxyethoxy)ethanol 513.33
    sec-butyl acetate 136.24
    tert-butyl acetate 270.53
    decalin 41.14
    glycerin 469.48
    diglyme 609.5
    acrylic acid 272.45
    isopropyl myristate 120.88
    n-butyric acid 507.09
    acetyl acetate 166.32
    di(2-ethylhexyl) phthalate 130.7
    ethyl propionate 151.7
    nitromethane 488.43
    1,2-diethoxyethane 313.97
    benzonitrile 229.78
    trioctyl phosphate 97.26
    1-bromopropane 180.13
    gamma-valerolactone 684.13
    n-decanol 157.75
    triethyl phosphate 88.81
    4-methyl-2-pentanol 254.32
    propionitrile 261.33
    vinylene carbonate 239.15
    1,1,2-trichlorotrifluoroethane 414.63
    DMS 157.37
    cumene 79.93
    2-octanol 159.66
    2-hexanone 228.3
    octyl acetate 162.01
    limonene 123.07
    1,2-dimethoxyethane 552.53
    ethyl orthosilicate 93.66
    tributyl phosphate 117.82
    diacetone alcohol 438.55
    N,N-dimethylaniline 146.61
    acrylonitrile 258.58
    aniline 239.44
    1,3-propanediol 626.98
    bromobenzene 132.9
    dibromomethane 271.07
    1,1,2,2-tetrachloroethane 443.37
    2-methyl-cyclohexyl acetate 174.34
    tetrabutyl urea 141.61
    diisobutyl methanol 151.1
    2-phenylethanol 272.96
    styrene 102.59
    dioctyl adipate 171.99
    dimethyl sulfate 111.84
    ethyl butyrate 169.21
    methyl lactate 179.92
    butyl lactate 183.79
    diethyl carbonate 110.88
    propanediol butyl ether 451.93
    triethyl orthoformate 133.09
    p-tert-butyltoluene 83.04
    methyl 4-tert-butylbenzoate 215.89
    morpholine 1104.55
    tert-butylamine 602.17
    n-dodecanol 121.42
    dimethoxymethane 360.32
    ethylene carbonate 205.91
    cyrene 250.23
    2-ethoxyethyl acetate 215.45
    2-ethylhexyl acetate 189.96
    1,2,4-trichlorobenzene 184.16
    4-methylpyridine 339.21
    dibutyl ether 183.24
    2,6-dimethyl-4-heptanol 151.1
    DEF 258.8
    dimethyl isosorbide 474.48
    tetrachloroethylene 252.18
    eugenol 229.33
    triacetin 233.95
    span 80 367.94
    1,4-butanediol 256.48
    1,1-dichloroethane 315.04
    2-methyl-1-pentanol 346.99
    methyl formate 198.5
    2-methyl-1-butanol 406.52
    n-decane 26.81
    butyronitrile 340.07
    3,7-dimethyl-1-octanol 235.5
    1-chlorooctane 106.98
    1-chlorotetradecane 46.45
    n-nonane 26.95
    undecane 20.56
    tert-butylcyclohexane 48.14
    cyclooctane 27.25
    cyclopentanol 536.08
    tetrahydropyran 721.77
    tert-amyl methyl ether 265.78
    2,5,8-trioxanonane 478.65
    1-hexene 219.33
    2-isopropoxyethanol 315.74
    2,2,2-trifluoroethanol 143.17
    methyl butyrate 197.84

    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