Nerylacetone

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  • Identifiers

    CAS number
    3879-26-3

    Molecular formula
    C13H22O

    SMILES
    CC(=CCC/C(=C\CCC(=O)C)/C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1434.0

  • Odor profile

    Floral 85.78%
    Fruity 82.88%
    Rose 64.31%
    Waxy 63.28%
    Sweet 61.29%
    Citrus 61.08%
    Green 57.15%
    Woody 55.29%
    Fresh 53.51%
    Tropical 46.83%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point est.
    103.35 ˚C

  • Synonyms

    • Nerylacetone
    • 3879-26-3
    • cis-Geranylacetone
    • (5Z)-6,10-dimethylundeca-5,9-dien-2-one
    • (Z)-Geranylacetone
    • 5,9-Undecadien-2-one,6,10-dimethyl-, (5Z)-
    • geranylaceton
    • Geranyl-Acetone
    • 5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)-
    • KZ9PY9FK2P
    • (E)-geranyl acetone
    • (Z)-6,10-dimethylundeca-5,9-dien-2-one
    • UNII-KZ9PY9FK2P
    • FEMA 3542
    • 6,10-Dimethyl-Undecadien-2-one
    • 5,9-Undecadien-2-one, 6,10-dimethyl-, cis-
    • 5,9-Undecadien-2-one, 6,10-dimethyl-,(Z)-
    • cis-6,10-dimethyl-5,9-undecadien-2-one
    • trans-2,6-Dimethyl-2,6-undecadien-2-one
    • (5E)-6,10-Dimethyl-5,9-undecadien-2-one
    • 6,10-Dimethyl-(5E)-5,9-Undecadien-2-one
    • 6,10-dimethyl-5,9-undecadien-2-one, (E)
    • Dihydropseudoionone
    • 6,10-dimethyl-(E)-5,9-undecadien-2-one
    • trans-6,10-Dimethyl-5,9-undecadien-2-one
    • 6,10-dimethyl-5,9-undecadiene-2-one
    • SCHEMBL790270
    • CHEBI:229389
    • 68228-05-7
    • MFCD00074898
    • AKOS024307561
    • AS-86944
    • NS00114070
    • (E)-6,10-dimethyl-5,9- undecadien-2-one
    • (5Z)-6,10-dimethyl-undeca-5,9-dien-2-one
    • F73615
    • (5Z)-6,10-Dimethyl-5,9-undecadien-2-one #
    • Q67879718

  • Applications

    Nerylacetone (CAS 3879-26-3) is a terpene ketone with a soft neroli–citrus-green odor profile, widely used in perfumery to boost and prolong citrus and white-floral notes (neroli, orange blossom, petitgrain) and classic cologne effects, while rounding herbal–aromatic themes (lavender, rosemary) and green-fruity facets; thanks to its high boiling point and good stability it performs well in soaps, detergents, fabric softeners, candles, and personal-care bases, acting as a modifier, a light fixative, and a bridging note between top and heart that smooths harsh citral/terpene edges and adds naturalness; beyond direct use, Nerylacetone serves as an intermediate for synthesizing open-chain/cyclic terpenoids (e.g., ionone and damascone derivatives), in research and aroma analytical calibration, and as a reference material when developing QC methods for citrus-derived fragrance oils.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1309.03
    methanol 1034.49
    isopropanol 982.26
    water 0.51
    ethyl acetate 982.5
    n-propanol 840.75
    acetone 795.79
    n-butanol 945.52
    acetonitrile 584.6
    DMF 477.46
    toluene 521.12
    isobutanol 583.02
    1,4-dioxane 1945.15
    methyl acetate 632.06
    THF 1968.87
    2-butanone 754.57
    n-pentanol 719.29
    sec-butanol 869.32
    n-hexane 574.11
    ethylene glycol 84.51
    NMP 528.62
    cyclohexane 515.66
    DMSO 494.01
    n-butyl acetate 784.92
    n-octanol 425.9
    chloroform 1938.26
    n-propyl acetate 586.79
    acetic acid 526.49
    dichloromethane 1245.07
    cyclohexanone 962.49
    propylene glycol 257.04
    isopropyl acetate 653.06
    DMAc 630.32
    2-ethoxyethanol 765.38
    isopentanol 789.48
    n-heptane 320.01
    ethyl formate 353.48
    1,2-dichloroethane 712.19
    n-hexanol 996.14
    2-methoxyethanol 961.99
    isobutyl acetate 414.9
    tetrachloromethane 321.18
    n-pentyl acetate 462.56
    transcutol 3041.06
    n-heptanol 416.26
    ethylbenzene 350.66
    MIBK 467.21
    2-propoxyethanol 1116.57
    tert-butanol 1141.51
    MTBE 1248.21
    2-butoxyethanol 613.95
    propionic acid 444.3
    o-xylene 316.67
    formic acid 112.13
    diethyl ether 1473.55
    m-xylene 340.22
    p-xylene 414.55
    chlorobenzene 424.71
    dimethyl carbonate 125.35
    n-octane 90.69
    formamide 156.08
    cyclopentanone 714.67
    2-pentanone 737.43
    anisole 559.73
    cyclopentyl methyl ether 965.75
    gamma-butyrolactone 652.51
    1-methoxy-2-propanol 788.1
    pyridine 882.19
    3-pentanone 506.52
    furfural 576.58
    n-dodecane 50.71
    diethylene glycol 470.55
    diisopropyl ether 481.97
    tert-amyl alcohol 971.01
    acetylacetone 580.55
    n-hexadecane 57.54
    acetophenone 398.88
    methyl propionate 478.82
    isopentyl acetate 708.06
    trichloroethylene 1155.69
    n-nonanol 391.16
    cyclohexanol 773.78
    benzyl alcohol 372.85
    2-ethylhexanol 641.03
    isooctanol 321.08
    dipropyl ether 995.17
    1,2-dichlorobenzene 365.78
    ethyl lactate 233.96
    propylene carbonate 453.27
    n-methylformamide 229.16
    2-pentanol 707.54
    n-pentane 334.31
    1-propoxy-2-propanol 913.53
    1-methoxy-2-propyl acetate 714.96
    2-(2-methoxypropoxy) propanol 604.77
    mesitylene 225.24
    ε-caprolactone 854.26
    p-cymene 232.3
    epichlorohydrin 939.03
    1,1,1-trichloroethane 905.11
    2-aminoethanol 309.98
    morpholine-4-carbaldehyde 858.92
    sulfolane 607.98
    2,2,4-trimethylpentane 127.94
    2-methyltetrahydrofuran 1666.21
    n-hexyl acetate 768.19
    isooctane 96.36
    2-(2-butoxyethoxy)ethanol 895.61
    sec-butyl acetate 500.82
    tert-butyl acetate 721.52
    decalin 227.03
    glycerin 246.0
    diglyme 1436.76
    acrylic acid 260.55
    isopropyl myristate 282.85
    n-butyric acid 796.69
    acetyl acetate 489.39
    di(2-ethylhexyl) phthalate 231.25
    ethyl propionate 489.69
    nitromethane 525.18
    1,2-diethoxyethane 1186.82
    benzonitrile 443.33
    trioctyl phosphate 159.89
    1-bromopropane 794.34
    gamma-valerolactone 1061.62
    n-decanol 275.23
    triethyl phosphate 258.44
    4-methyl-2-pentanol 406.16
    propionitrile 526.36
    vinylene carbonate 374.23
    1,1,2-trichlorotrifluoroethane 605.96
    DMS 372.19
    cumene 247.25
    2-octanol 286.22
    2-hexanone 630.15
    octyl acetate 341.52
    limonene 408.39
    1,2-dimethoxyethane 1332.24
    ethyl orthosilicate 296.94
    tributyl phosphate 218.61
    diacetone alcohol 612.09
    N,N-dimethylaniline 380.84
    acrylonitrile 410.75
    aniline 505.09
    1,3-propanediol 479.83
    bromobenzene 476.79
    dibromomethane 969.02
    1,1,2,2-tetrachloroethane 1122.98
    2-methyl-cyclohexyl acetate 498.03
    tetrabutyl urea 264.6
    diisobutyl methanol 334.49
    2-phenylethanol 451.11
    styrene 397.4
    dioctyl adipate 383.26
    dimethyl sulfate 155.36
    ethyl butyrate 636.38
    methyl lactate 200.12
    butyl lactate 321.11
    diethyl carbonate 378.36
    propanediol butyl ether 530.76
    triethyl orthoformate 477.77
    p-tert-butyltoluene 231.86
    methyl 4-tert-butylbenzoate 392.96
    morpholine 2145.76
    tert-butylamine 915.44
    n-dodecanol 205.98
    dimethoxymethane 529.6
    ethylene carbonate 356.77
    cyrene 377.41
    2-ethoxyethyl acetate 577.04
    2-ethylhexyl acetate 586.58
    1,2,4-trichlorobenzene 448.83
    4-methylpyridine 899.79
    dibutyl ether 797.13
    2,6-dimethyl-4-heptanol 334.49
    DEF 649.7
    dimethyl isosorbide 823.15
    tetrachloroethylene 707.55
    eugenol 353.02
    triacetin 577.28
    span 80 586.12
    1,4-butanediol 184.8
    1,1-dichloroethane 910.67
    2-methyl-1-pentanol 617.21
    methyl formate 141.14
    2-methyl-1-butanol 668.2
    n-decane 107.3
    butyronitrile 711.52
    3,7-dimethyl-1-octanol 440.62
    1-chlorooctane 324.96
    1-chlorotetradecane 118.0
    n-nonane 116.07
    undecane 68.6
    tert-butylcyclohexane 208.94
    cyclooctane 189.98
    cyclopentanol 534.94
    tetrahydropyran 2052.56
    tert-amyl methyl ether 905.01
    2,5,8-trioxanonane 896.27
    1-hexene 1010.44
    2-isopropoxyethanol 587.92
    2,2,2-trifluoroethanol 113.86
    methyl butyrate 605.64

    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
Swangi (Citrus hystrix) leaf (Thailand) 2b Citrus hystrix DC (Swangi), fam. Rutaceae 0.01%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.14%
Micromeria myrtifolia (Turkey) Micromeria myrtifolia Boiss. et Hohen, fam. Lamiaceae (Labiatae) 0.16%
Calamintha nepeta (Turkey) 2 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball, fam.Lamiaceae 0.13%
Thymus sibthorpii (Turkey) Thymus sibthorpii Bentham, fam. Lamiaceae (Labiatae) 0.02%
Salvia cryptantha (Turkey) Salvia cryptantha Montbret et Aucher ex Benth., fam. Lamiaceae (Labiatae) 0.02%
Origanum rotundifolium (Turkey) Origanum rotundifolium Boiss., fam. Lamiaceae (Labiatae) 0.18%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.14%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.08%
Pistacia vera fruit hull (Turkey) Pistacia vera L., fam. Anacardiaceae 0.02%
Sideritis amasiaca (Turkey) Sideritis amasiaca Bornm., fam. Lamiaceae (Labiatae) 0.56%
Salvia syriaca (Turkey) Salvia syriaca L., fam. Lamiaceae (Labiatea) 0.03%
Scleria striatinux rhizome (Cameroon) Scleria striatinux De Wild., fam. Cyperaceae 1.1%