Beta-citronellol, (S)-

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  • Identifiers

    CAS number
    7540-51-4

    Molecular formula
    C10H20O

    SMILES
    C[C@@H](CCC=C(C)C)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 91.73%
    Rose 78.89%
    Citrus 74.21%
    Green 74.03%
    Waxy 70.84%
    Sweet 68.79%
    Fresh 64.56%
    Fruity 56.55%
    Lemon 52.03%
    Clean 46.91%

     

    Flavor
    Floral 84.01%
    Waxy 67.36%
    Rose 65.51%
    Citrus 62.04%
    Green 56.55%
    Bitter 52.15%
    Sweet 49.42%
    Fresh 47.44%
    Geranium 40.83%
    Orange 40.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.73 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 225.00 °C. @ 760.00 mm Hg

    Flash point

    • 91.32 ˚C est.

  • Synonyms

    • 7540-51-4
    • l-Citronellol
    • (S)-3,7-dimethyloct-6-en-1-ol
    • (-)-Citronellol
    • (-)-beta-Citronellol
    • (S)-(-)-citronellol
    • beta-Rhodinol
    • (S)-(-)-beta-Citronellol
    • (3S)-3,7-dimethyloct-6-en-1-ol
    • (S)-citronellol
    • 6-Octen-1-ol, 3,7-dimethyl-, (3S)-
    • (-)-3,7-Dimethyloct-6-en-1-ol
    • (S)-(-)-3,7-Dimethyl-6-octen-1-ol
    • 6-Octen-1-ol, 3,7-dimethyl-, (S)-
    • (3S)-citronellol
    • 3S,7-dimethyloct-6-en-1-ol
    • DTXSID1041550
    • 8RSY5Y5658
    • (-)-(s)-citronellol
    • CITRONELLOL, L-
    • (S)-3,7-Dimethyl-6-octen-1-ol
    • EINECS 231-415-7
    • MFCD00063214
    • CHEBI:88
    • 6-Octen-1-ol, 3,7-dimethyl-, (-)-
    • AI3-09552
    • DTXCID9021550
    • .BETA.-CITRONELLOL, (S)-
    • (S)-(-)-.BETA.-CITRONELLOL
    • (3s)-3,7-dimethyl-6-octen-1-ol
    • (S)-(-)-beta-Citronellol, 99%, FG
    • (S)-(-)-|A-Citronellol
    • beta-Citronellol, (S)-
    • UNII-8RSY5Y5658
    • (S) -citronellol
    • (s)-beta-citronellol
    • (-)-fA-Citronellol
    • (-)-(S)-beta-citronellol
    • SCHEMBL301394
    • CHEMBL1907995
    • (-)-.BETA.-CITRONELLOL
    • Tox21_300711
    • (S)-(-)-beta-Citronellol, 99%
    • AKOS015902396
    • CS-W016231
    • FC20468
    • LMPR0102010012
    • NCGC00248147-01
    • NCGC00254618-01
    • AC-26774
    • AS-57118
    • (-)-beta-Citronellol, analytical standard
    • CAS-7540-51-4
    • C2254
    • C3619
    • NS00082400
    • F16553
    • Q27105229
    • (-)-3,7-Dimethyloct-6-en-1-ol;(-)-beta-Citronellol

  • Applications

    (S)-(−)-β-Citronellol (CAS 7540-51-4) is a monoterpenoid alcohol with a delicate rose-like scent widely used as a fragrance ingredient in fine perfumes, diffusing oils, and personal-care products such as creams, soaps, and shampoos; it also harmonizes flavors in foods and beverages, serves as an intermediate for synthesizing bioactive terpene derivatives, acts as a chiral analytical standard in stereochemical studies, and, thanks to its natural insect-repellent properties, is incorporated into candles, sprays, and mosquito-defense cosmeceuticals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5870.72
    methanol 3831.42
    isopropanol 5097.98
    water 1.16
    ethyl acetate 1524.75
    n-propanol 4042.36
    acetone 2079.6
    n-butanol 4219.51
    acetonitrile 1497.83
    DMF 933.3
    toluene 452.73
    isobutanol 2586.09
    1,4-dioxane 3487.01
    methyl acetate 1026.88
    THF 4440.97
    2-butanone 1473.18
    n-pentanol 2224.93
    sec-butanol 3074.22
    n-hexane 769.23
    ethylene glycol 389.7
    NMP 495.61
    cyclohexane 994.48
    DMSO 1160.17
    n-butyl acetate 1596.53
    n-octanol 819.72
    chloroform 2135.41
    n-propyl acetate 925.6
    acetic acid 1561.34
    dichloromethane 1398.28
    cyclohexanone 1602.18
    propylene glycol 908.86
    isopropyl acetate 837.17
    DMAc 521.28
    2-ethoxyethanol 1633.94
    isopentanol 2737.72
    n-heptane 725.01
    ethyl formate 766.86
    1,2-dichloroethane 939.13
    n-hexanol 3304.89
    2-methoxyethanol 2880.8
    isobutyl acetate 523.18
    tetrachloromethane 506.53
    n-pentyl acetate 624.72
    transcutol 3302.76
    n-heptanol 1030.97
    ethylbenzene 233.88
    MIBK 724.46
    2-propoxyethanol 2546.25
    tert-butanol 4928.56
    MTBE 2572.32
    2-butoxyethanol 1219.42
    propionic acid 1091.47
    o-xylene 253.25
    formic acid 315.79
    diethyl ether 3059.2
    m-xylene 327.45
    p-xylene 297.49
    chlorobenzene 446.38
    dimethyl carbonate 126.39
    n-octane 150.12
    formamide 347.45
    cyclopentanone 1288.75
    2-pentanone 1467.9
    anisole 458.46
    cyclopentyl methyl ether 1593.1
    gamma-butyrolactone 1087.16
    1-methoxy-2-propanol 2108.54
    pyridine 1273.08
    3-pentanone 710.47
    furfural 828.69
    n-dodecane 72.61
    diethylene glycol 1105.44
    diisopropyl ether 690.91
    tert-amyl alcohol 2560.06
    acetylacetone 709.69
    n-hexadecane 80.76
    acetophenone 298.78
    methyl propionate 665.29
    isopentyl acetate 1166.03
    trichloroethylene 1294.82
    n-nonanol 664.26
    cyclohexanol 2164.38
    benzyl alcohol 431.5
    2-ethylhexanol 1458.02
    isooctanol 682.12
    dipropyl ether 2048.23
    1,2-dichlorobenzene 315.59
    ethyl lactate 290.35
    propylene carbonate 648.16
    n-methylformamide 673.43
    2-pentanol 2482.35
    n-pentane 816.32
    1-propoxy-2-propanol 2057.55
    1-methoxy-2-propyl acetate 882.68
    2-(2-methoxypropoxy) propanol 587.39
    mesitylene 213.53
    ε-caprolactone 1245.67
    p-cymene 246.56
    epichlorohydrin 1523.74
    1,1,1-trichloroethane 1040.22
    2-aminoethanol 1237.1
    morpholine-4-carbaldehyde 1026.9
    sulfolane 769.18
    2,2,4-trimethylpentane 198.11
    2-methyltetrahydrofuran 3053.06
    n-hexyl acetate 831.54
    isooctane 199.23
    2-(2-butoxyethoxy)ethanol 1120.71
    sec-butyl acetate 560.55
    tert-butyl acetate 784.24
    decalin 194.26
    glycerin 716.94
    diglyme 1775.53
    acrylic acid 567.34
    isopropyl myristate 269.21
    n-butyric acid 2419.82
    acetyl acetate 467.07
    di(2-ethylhexyl) phthalate 215.78
    ethyl propionate 569.3
    nitromethane 1110.43
    1,2-diethoxyethane 1503.83
    benzonitrile 569.52
    trioctyl phosphate 187.07
    1-bromopropane 1311.43
    gamma-valerolactone 1712.54
    n-decanol 439.96
    triethyl phosphate 224.16
    4-methyl-2-pentanol 1022.65
    propionitrile 1422.68
    vinylene carbonate 500.08
    1,1,2-trichlorotrifluoroethane 869.33
    DMS 273.93
    cumene 166.05
    2-octanol 595.41
    2-hexanone 1084.29
    octyl acetate 338.37
    limonene 534.16
    1,2-dimethoxyethane 2201.28
    ethyl orthosilicate 285.06
    tributyl phosphate 226.16
    diacetone alcohol 886.48
    N,N-dimethylaniline 252.04
    acrylonitrile 873.77
    aniline 729.91
    1,3-propanediol 2119.77
    bromobenzene 411.28
    dibromomethane 1270.74
    1,1,2,2-tetrachloroethane 1195.02
    2-methyl-cyclohexyl acetate 513.71
    tetrabutyl urea 251.9
    diisobutyl methanol 670.52
    2-phenylethanol 604.75
    styrene 288.32
    dioctyl adipate 329.75
    dimethyl sulfate 127.85
    ethyl butyrate 895.15
    methyl lactate 291.68
    butyl lactate 438.87
    diethyl carbonate 414.19
    propanediol butyl ether 911.74
    triethyl orthoformate 621.47
    p-tert-butyltoluene 262.31
    methyl 4-tert-butylbenzoate 333.59
    morpholine 4583.78
    tert-butylamine 3353.7
    n-dodecanol 309.72
    dimethoxymethane 944.53
    ethylene carbonate 557.27
    cyrene 352.01
    2-ethoxyethyl acetate 639.3
    2-ethylhexyl acetate 873.82
    1,2,4-trichlorobenzene 351.93
    4-methylpyridine 1138.05
    dibutyl ether 1066.63
    2,6-dimethyl-4-heptanol 670.52
    DEF 918.82
    dimethyl isosorbide 741.67
    tetrachloroethylene 818.85
    eugenol 338.59
    triacetin 445.32
    span 80 732.64
    1,4-butanediol 618.71
    1,1-dichloroethane 1391.18
    2-methyl-1-pentanol 1265.62
    methyl formate 348.52
    2-methyl-1-butanol 2130.44
    n-decane 160.28
    butyronitrile 2234.8
    3,7-dimethyl-1-octanol 672.64
    1-chlorooctane 412.89
    1-chlorotetradecane 129.2
    n-nonane 184.49
    undecane 100.99
    tert-butylcyclohexane 194.27
    cyclooctane 263.67
    cyclopentanol 1838.66
    tetrahydropyran 4790.37
    tert-amyl methyl ether 1295.78
    2,5,8-trioxanonane 949.96
    1-hexene 1604.15
    2-isopropoxyethanol 1024.3
    2,2,2-trifluoroethanol 226.01
    methyl butyrate 831.45

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 2.2 % Category 7A
Rinse-off products applied to the hair with some hand contact
 25 %
Category 2
Products applied to the axillae
 0.67 % Category 7B
Leave-on products applied to the hair with some hand contact
 25 %
Category 3
Products applied to the face/body using fingertips
 13 % Category 8
Products with significant anogenital exposure
 1.3 %
Category 4
Products related to fine fragrance
 12 % Category 9
Products with body and hand exposure, primarily rinse off
 24 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 3.2 % Category 10A
Household care products with mostly hand contact
 87 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 3.2 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 87 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 3.2 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 48 %
Category 5D
Baby Creams, baby Oils and baby talc
 3.2 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 48 %
Category 6
Products with oral and lip exposure
 7.3 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction