Citronellol acetate, (S)-

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  • Identifiers

    CAS number
    67601-05-2

    Molecular formula
    C12H22O2

    SMILES
    C[C@@H](CCC=C(C)C)CCOC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 90.34%
    Fruity 79.23%
    Rose 78.35%
    Citrus 77.25%
    Sweet 75.41%
    Green 73.81%
    Fresh 64.7%
    Waxy 63.67%
    Geranium 48.63%
    Tropical 45.7%

     

    Flavor
    Floral 77.35%
    Rose 71.47%
    Green 68.35%
    Fruity 60.0%
    Bitter 59.66%
    Waxy 53.74%
    Sweet 48.34%
    Tropical 48.08%
    Citrus 47.59%
    Geranium 46.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.8 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 96.84 ˚C est.

  • Synonyms

    • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-
    • Citronellol acetate, (S)-
    • 67601-05-2
    • (S)-citronellol acetate
    • (-)-3,7-Dimethyloct-6-enyl acetate
    • 78RZL4H51H
    • [(3S)-3,7-dimethyloct-6-enyl] acetate
    • EINECS 266-767-0
    • 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-
    • (3S)-CITRONELLYL ACETATE
    • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (S)-
    • DTXSID101015025
    • (-)-(S)-CITRONELLOL ACETATE
    • (S)-(-)-CITRONELLYL ACETATE
    • FEMA NO. 2311, (-)-
    • UNII-78RZL4H51H
    • (s)-citronellyl acetate
    • SCHEMBL20912959
    • JOZKFWLRHCDGJA-NSHDSACASA-N
    • DTXCID801473353
    • acetic acid 3,7-dimethyl-oct-6-en-1-yl ester
    • Q27266694
    • 266-767-0

  • Applications

    Citronellol acetate, (S)-, CAS 67601-05-2, is primarily used as a fragrance ingredient in perfumery, functioning as an aroma component with potential fixative properties to extend scent. It is also employed in cosmetics/personal care formulations (creams, lotions, bath products) and in household products (air fresheners, detergents) to impart a floral note. In coatings and inks, it can serve as a fragrance additive to introduce or enhance aroma in finished products. Additionally, it may be used as an intermediate in fragrance synthesis or as a scent modifier in industrial manufacturing contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3377.95
    methanol 3196.86
    isopropanol 2573.6
    water 1.11
    ethyl acetate 1242.09
    n-propanol 1915.19
    acetone 1614.74
    n-butanol 1841.57
    acetonitrile 1110.76
    DMF 1001.23
    toluene 512.37
    isobutanol 1265.34
    1,4-dioxane 3072.13
    methyl acetate 886.45
    THF 2870.74
    2-butanone 1018.62
    n-pentanol 1250.05
    sec-butanol 1718.93
    n-hexane 313.76
    ethylene glycol 232.15
    NMP 726.14
    cyclohexane 423.26
    DMSO 1054.42
    n-butyl acetate 791.96
    n-octanol 491.61
    chloroform 2620.46
    n-propyl acetate 668.61
    acetic acid 1176.65
    dichloromethane 1762.54
    cyclohexanone 1409.62
    propylene glycol 655.24
    isopropyl acetate 733.25
    DMAc 832.3
    2-ethoxyethanol 1319.06
    isopentanol 1349.21
    n-heptane 136.78
    ethyl formate 586.42
    1,2-dichloroethane 961.84
    n-hexanol 1310.1
    2-methoxyethanol 1969.65
    isobutyl acetate 435.64
    tetrachloromethane 336.1
    n-pentyl acetate 459.47
    transcutol 3538.85
    n-heptanol 455.44
    ethylbenzene 296.06
    MIBK 549.0
    2-propoxyethanol 1521.41
    tert-butanol 2540.47
    MTBE 1577.2
    2-butoxyethanol 718.42
    propionic acid 800.46
    o-xylene 301.76
    formic acid 288.13
    diethyl ether 1592.08
    m-xylene 355.62
    p-xylene 388.82
    chlorobenzene 509.87
    dimethyl carbonate 150.44
    n-octane 47.9
    formamide 359.55
    cyclopentanone 1097.73
    2-pentanone 936.28
    anisole 591.15
    cyclopentyl methyl ether 1170.11
    gamma-butyrolactone 1024.32
    1-methoxy-2-propanol 1536.72
    pyridine 1268.33
    3-pentanone 522.38
    furfural 874.07
    n-dodecane 35.83
    diethylene glycol 797.44
    diisopropyl ether 397.4
    tert-amyl alcohol 1701.27
    acetylacetone 752.6
    n-hexadecane 40.92
    acetophenone 431.3
    methyl propionate 575.67
    isopentyl acetate 715.24
    trichloroethylene 1589.85
    n-nonanol 419.22
    cyclohexanol 1452.3
    benzyl alcohol 558.92
    2-ethylhexanol 610.79
    isooctanol 337.51
    dipropyl ether 662.22
    1,2-dichlorobenzene 408.06
    ethyl lactate 291.66
    propylene carbonate 617.21
    n-methylformamide 533.38
    2-pentanol 1159.14
    n-pentane 219.98
    1-propoxy-2-propanol 1045.32
    1-methoxy-2-propyl acetate 703.55
    2-(2-methoxypropoxy) propanol 662.43
    mesitylene 223.48
    ε-caprolactone 1179.79
    p-cymene 185.9
    epichlorohydrin 1414.22
    1,1,1-trichloroethane 1123.46
    2-aminoethanol 781.17
    morpholine-4-carbaldehyde 1261.62
    sulfolane 876.1
    2,2,4-trimethylpentane 94.29
    2-methyltetrahydrofuran 2270.98
    n-hexyl acetate 776.73
    isooctane 75.45
    2-(2-butoxyethoxy)ethanol 1059.17
    sec-butyl acetate 485.96
    tert-butyl acetate 749.78
    decalin 142.66
    glycerin 547.69
    diglyme 1548.58
    acrylic acid 473.72
    isopropyl myristate 261.81
    n-butyric acid 1367.15
    acetyl acetate 567.82
    di(2-ethylhexyl) phthalate 251.97
    ethyl propionate 499.54
    nitromethane 1084.19
    1,2-diethoxyethane 1075.96
    benzonitrile 617.87
    trioctyl phosphate 175.45
    1-bromopropane 849.56
    gamma-valerolactone 1608.14
    n-decanol 294.5
    triethyl phosphate 214.99
    4-methyl-2-pentanol 554.38
    propionitrile 793.93
    vinylene carbonate 532.64
    1,1,2-trichlorotrifluoroethane 990.9
    DMS 378.9
    cumene 210.48
    2-octanol 319.03
    2-hexanone 714.07
    octyl acetate 334.45
    limonene 337.53
    1,2-dimethoxyethane 1698.76
    ethyl orthosilicate 234.03
    tributyl phosphate 229.78
    diacetone alcohol 823.85
    N,N-dimethylaniline 355.23
    acrylonitrile 685.1
    aniline 761.89
    1,3-propanediol 1175.4
    bromobenzene 525.61
    dibromomethane 1296.46
    1,1,2,2-tetrachloroethane 1546.64
    2-methyl-cyclohexyl acetate 435.41
    tetrabutyl urea 262.69
    diisobutyl methanol 298.17
    2-phenylethanol 556.28
    styrene 375.75
    dioctyl adipate 383.06
    dimethyl sulfate 193.67
    ethyl butyrate 558.98
    methyl lactate 294.42
    butyl lactate 374.0
    diethyl carbonate 328.17
    propanediol butyl ether 779.68
    triethyl orthoformate 384.21
    p-tert-butyltoluene 189.31
    methyl 4-tert-butylbenzoate 405.44
    morpholine 3764.22
    tert-butylamine 1595.47
    n-dodecanol 219.14
    dimethoxymethane 798.02
    ethylene carbonate 511.68
    cyrene 458.29
    2-ethoxyethyl acetate 592.07
    2-ethylhexyl acetate 547.86
    1,2,4-trichlorobenzene 517.7
    4-methylpyridine 1258.97
    dibutyl ether 624.88
    2,6-dimethyl-4-heptanol 298.17
    DEF 783.61
    dimethyl isosorbide 839.11
    tetrachloroethylene 885.73
    eugenol 414.5
    triacetin 594.26
    span 80 688.13
    1,4-butanediol 448.35
    1,1-dichloroethane 1354.62
    2-methyl-1-pentanol 879.5
    methyl formate 305.77
    2-methyl-1-butanol 1100.9
    n-decane 68.8
    butyronitrile 1091.17
    3,7-dimethyl-1-octanol 463.41
    1-chlorooctane 269.58
    1-chlorotetradecane 96.59
    n-nonane 71.5
    undecane 47.0
    tert-butylcyclohexane 137.78
    cyclooctane 109.31
    cyclopentanol 1163.33
    tetrahydropyran 3074.78
    tert-amyl methyl ether 937.49
    2,5,8-trioxanonane 1043.77
    1-hexene 834.53
    2-isopropoxyethanol 843.84
    2,2,2-trifluoroethanol 224.44
    methyl butyrate 676.41

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.49 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.4 %
Category 2
Products applied to the axillae
 0.15 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.4 %
Category 3
Products applied to the face/body using fingertips
 2 % Category 8
Products with significant anogenital exposure
 0.23 %
Category 4
Products related to fine fragrance
 2.7 % Category 9
Products with body and hand exposure, primarily rinse off
 5.4 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.7 % Category 10A
Household care products with mostly hand contact
 0.41 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.7 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 16 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.7 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.23 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.23 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.23 %
Category 6
Products with oral and lip exposure
 0.82 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction