beta-CITRONELLOL, (R)-

  • Identifiers

    CAS number
    1117-61-9

    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

    • 221.00 to 224.00 °C. @ 760.00 mm Hg

    Flash point

    • 91.32 ˚C est.

  • Synonyms

    • D-Citronellol
    • 1117-61-9
    • (R)-Citronellol
    • 6-Octen-1-ol, 3,7-dimethyl-, (3R)-
    • (R)-(+)-beta-Citronellol
    • (3R)-3,7-dimethyloct-6-en-1-ol
    • (R)-(+)-Citronellol
    • (R)-3,7-Dimethyloct-6-en-1-ol
    • (R)-beta-Citronellol
    • (R)-3,7-Dimethyl-6-octen-1-ol
    • beta-Citronellol, (R)-
    • 6-Octen-1-ol, 3,7-dimethyl-, (R)-
    • UNII-P01OUT964K
    • P01OUT964K
    • (+)-beta-Citronellol
    • CITRONELLOL, D-
    • EINECS 214-250-5
    • AI3-00204
    • CHEBI:10360
    • DTXSID00880647
    • 6-Octen-1-ol, 3,7-dimethyl-, (theta)-
    • b-citronellol
    • FEMA No. 2309
    • MFCD00063215
    • (+)-citronellol
    • (R)-(+)-.beta.-Citronellol
    • (R)-(+)-ss-Citronellol; (3R)-3,7-dimethyl-6-octen-1-ol
    • (+)-A-Citronellol
    • (+)-R-Citronellol
    • Hydrating Treatment Toner
    • CITRONELLOL [FCC]
    • CITRONELLOL [FHFI]
    • (R)-(+)-ss-Citronellol
    • (R)-(+)-?-Citronellol
    • SCHEMBL21321
    • (R)-(+)-beta -Citronellol
    • (R)-3,7-dimethyl-6-octenol
    • (R)-(+)- beta -Citronellol
    • CHEMBL1907993
    • Hydrating extra concentrate serum
    • 3,7-Dimethyl-6-octen-1-ol #
    • DTXCID601022015
    • .BETA.-CITRONELLOL, (R)-
    • R-(+)-.BETA.-CITRONELLOL
    • (R)-(+)-beta-Citronellol, 98%
    • 3,7-Dimethyl-(R)-6-Octen-1-ol
    • Purifying relief soothing gel essence
    • 3,7-Dimethyl-(3R)-6-Octen-1-ol
    • AKOS028108897
    • D-Citronellol;(R)-(+)--Citronellol
    • .BETA.-CITRONELLOL, R-(+)-
    • LMPR0102010008
    • 6-Octen-1-ol,3,7-dimethyl-,(3R)-
    • NCGC00249168-01
    • FD157131
    • (R)-(+)-3,7-dimethyl-oct-6-en-1-ol
    • HY-124257
    • CS-0086047
    • NS00003343
    • C09849
    • F82355
    • Q418813
    • 214-250-5
  • Applications

    beta-CITRONELLOL, (R)- is primarily used in perfumery as a fragrance ingredient and as a fixative to extend aroma longevity. It is also employed in cosmetics and personal care products (fragrances for lotions, shampoos, soaps). In household products and cleaning formulations (detergents, cleaners, air fresheners), it provides a fresh floral note. It may be used as a flavor ingredient in food and beverage applications at limited levels. In industrial manufacturing, it often serves as an intermediate in the synthesis of other fragrance materials.

    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

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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