Hydroxycitronellol

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  • Identifiers

    CAS number
    107-74-4

    Molecular formula
    C10H22O2

    SMILES
    CC(CCCC(C)(C)O)CCO

  • Odor profile

    Fragrance
    Floral 93.87%
    Green 70.68%
    Rose 69.52%
    Sweet 68.32%
    Lily 65.67%
    Fresh 60.12%
    Muguet 55.14%
    Citrus 47.0%
    Woody 44.24%
    Waxy 42.65%

     

    Flavor
    Green 79.78%
    Floral 77.09%
    Lily 53.11%
    Waxy 52.58%
    Oily 44.56%
    Mild 40.85%
    Clean 40.3%
    Sweet 38.61%
    Earthy 36.72%
    Citrus 36.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.26 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    264°C

    Flash point

    • 121.38 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in alcohol and oils
    • 1 ml in 1 ml 60% alcohol (in ethanol)

  • Synonyms

    • Hydroxycitronellol
    • 3,7-Dimethyloctane-1,7-diol
    • 107-74-4
    • 1,7-Octanediol, 3,7-dimethyl-
    • 3,7-Dimethyl-1,7-octanediol
    • Citronellol, hydroxy-
    • Citronellol hydrate
    • Hydroxyciol
    • 3,7-Dimethyloctan-1,7-diol
    • Hydroxydihydrocitronellol
    • (+/-)-Hydroxycitronellol
    • 7-Hydroxy-3,7-dimethyloctan-1-ol
    • UNII-R0B4U2I48W
    • FEMA No. 2586
    • DTXSID6044513
    • 1,2-Octandiol, 3,7-dimethyl-
    • 2,8-Octanediol, 2,6-dimethyl-
    • EINECS 203-517-1
    • 1-Octanol, 3,7-dimethyl-7-hydroxy-
    • NSC 406140
    • NSC-406140
    • AI3-01951
    • R0B4U2I48W
    • DTXCID4024513
    • HYDROXYCITRONELLOL [FHFI]
    • 3,7-octanediol
    • Octane-1,7-diol, 3,7-dimethyl
    • HYDROXYCITRONELLOL, (+/-)-
    • 2,6-DIMETHYL-2,8-OCTANEDIOL
    • 1-Octanol,7-dimethyl-7-hydroxy-
    • WLN: QX1&1&3Y2Q&1
    • NSC67886
    • Citronellol, hydroxy
    • MFCD00046005
    • 3,7Dimethyloctan1,7diol
    • 2,6Dimethyl2,8octanediol
    • 3,7Dimethyl1,7octanediol
    • 7Hydroxy3,7dimethyloctan1ol
    • NCIOpen2_000927
    • 1,7Octanediol, 3,7dimethyl
    • 2,8Octanediol, 2,6dimethyl
    • SCHEMBL362466
    • 1Octanol, 3,7dimethyl7hydroxy
    • CHEMBL3187980
    • CHEBI:179046
    • AAA10774
    • Tox21_300934
    • BBL028009
    • LMFA05000666
    • NSC-67886
    • NSC406140
    • STK802503
    • 3,7-dimethyl-7-hydroxy octyl alcohol
    • AKOS006346443
    • NCGC00248216-01
    • NCGC00254836-01
    • AS-59645
    • CAS-107-74-4
    • DB-040782
    • CS-0440502
    • NS00012635
    • D92866
    • Q27287607

  • Applications

    Hydroxycitronellol (CAS 107-74-4) is primarily used as a fragrance ingredient and fixative in perfumes and cosmetic formulations; typical applications include perfumery/fragrance, cosmetics/personal care, and household products such as detergents and cleaners where it serves as an odorant or fixative to extend scent longevity; it is also regarded as an intermediate in the synthesis of other fragrance compounds for industrial-scale fragrance production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2801.61
    methanol 3544.23
    isopropanol 2206.84
    water 11.96
    ethyl acetate 522.51
    n-propanol 1702.81
    acetone 852.26
    n-butanol 1661.52
    acetonitrile 417.26
    DMF 812.69
    toluene 107.58
    isobutanol 1124.6
    1,4-dioxane 1503.54
    methyl acetate 394.9
    THF 2253.37
    2-butanone 455.81
    n-pentanol 866.95
    sec-butanol 1123.52
    n-hexane 130.7
    ethylene glycol 649.27
    NMP 476.03
    cyclohexane 165.06
    DMSO 833.79
    n-butyl acetate 570.6
    n-octanol 505.41
    chloroform 488.2
    n-propyl acetate 379.76
    acetic acid 1276.31
    dichloromethane 270.98
    cyclohexanone 751.23
    propylene glycol 1202.16
    isopropyl acetate 412.93
    DMAc 448.0
    2-ethoxyethanol 1056.87
    isopentanol 1128.76
    n-heptane 164.57
    ethyl formate 387.99
    1,2-dichloroethane 203.3
    n-hexanol 1413.23
    2-methoxyethanol 2083.79
    isobutyl acetate 293.83
    tetrachloromethane 127.16
    n-pentyl acetate 268.48
    transcutol 2234.93
    n-heptanol 562.09
    ethylbenzene 70.04
    MIBK 363.05
    2-propoxyethanol 1598.94
    tert-butanol 2324.58
    MTBE 884.3
    2-butoxyethanol 834.53
    propionic acid 826.35
    o-xylene 93.87
    formic acid 590.31
    diethyl ether 650.99
    m-xylene 112.51
    p-xylene 104.37
    chlorobenzene 129.09
    dimethyl carbonate 100.29
    n-octane 46.43
    formamide 422.65
    cyclopentanone 721.74
    2-pentanone 505.8
    anisole 207.31
    cyclopentyl methyl ether 689.62
    gamma-butyrolactone 745.43
    1-methoxy-2-propanol 1519.21
    pyridine 346.24
    3-pentanone 255.03
    furfural 530.5
    n-dodecane 31.46
    diethylene glycol 1101.18
    diisopropyl ether 235.0
    tert-amyl alcohol 1133.01
    acetylacetone 408.49
    n-hexadecane 33.32
    acetophenone 168.09
    methyl propionate 320.73
    isopentyl acetate 523.62
    trichloroethylene 344.63
    n-nonanol 406.66
    cyclohexanol 971.77
    benzyl alcohol 233.0
    2-ethylhexanol 652.24
    isooctanol 390.53
    dipropyl ether 619.22
    1,2-dichlorobenzene 117.55
    ethyl lactate 238.07
    propylene carbonate 441.94
    n-methylformamide 611.3
    2-pentanol 865.82
    n-pentane 121.66
    1-propoxy-2-propanol 1189.4
    1-methoxy-2-propyl acetate 549.91
    2-(2-methoxypropoxy) propanol 486.12
    mesitylene 94.98
    ε-caprolactone 643.89
    p-cymene 101.33
    epichlorohydrin 667.41
    1,1,1-trichloroethane 242.65
    2-aminoethanol 1436.3
    morpholine-4-carbaldehyde 924.66
    sulfolane 626.82
    2,2,4-trimethylpentane 67.22
    2-methyltetrahydrofuran 1112.42
    n-hexyl acetate 469.86
    isooctane 70.65
    2-(2-butoxyethoxy)ethanol 891.44
    sec-butyl acetate 261.42
    tert-butyl acetate 490.63
    decalin 60.28
    glycerin 1237.04
    diglyme 1233.01
    acrylic acid 491.29
    isopropyl myristate 158.19
    n-butyric acid 1250.13
    acetyl acetate 251.79
    di(2-ethylhexyl) phthalate 161.16
    ethyl propionate 265.5
    nitromethane 755.54
    1,2-diethoxyethane 567.49
    benzonitrile 233.3
    trioctyl phosphate 142.23
    1-bromopropane 202.63
    gamma-valerolactone 1142.02
    n-decanol 283.17
    triethyl phosphate 139.87
    4-methyl-2-pentanol 498.33
    propionitrile 420.61
    vinylene carbonate 324.72
    1,1,2-trichlorotrifluoroethane 657.08
    DMS 180.1
    cumene 72.95
    2-octanol 318.89
    2-hexanone 396.21
    octyl acetate 211.89
    limonene 200.92
    1,2-dimethoxyethane 1263.22
    ethyl orthosilicate 164.23
    tributyl phosphate 160.1
    diacetone alcohol 696.85
    N,N-dimethylaniline 150.37
    acrylonitrile 322.21
    aniline 272.65
    1,3-propanediol 1688.95
    bromobenzene 101.82
    dibromomethane 217.08
    1,1,2,2-tetrachloroethane 372.06
    2-methyl-cyclohexyl acetate 294.76
    tetrabutyl urea 190.26
    diisobutyl methanol 305.45
    2-phenylethanol 326.93
    styrene 76.36
    dioctyl adipate 220.32
    dimethyl sulfate 130.64
    ethyl butyrate 367.25
    methyl lactate 300.37
    butyl lactate 310.8
    diethyl carbonate 191.72
    propanediol butyl ether 814.14
    triethyl orthoformate 305.78
    p-tert-butyltoluene 113.94
    methyl 4-tert-butylbenzoate 253.44
    morpholine 1937.04
    tert-butylamine 1347.9
    n-dodecanol 206.01
    dimethoxymethane 641.45
    ethylene carbonate 358.09
    cyrene 328.5
    2-ethoxyethyl acetate 305.05
    2-ethylhexyl acetate 373.03
    1,2,4-trichlorobenzene 153.22
    4-methylpyridine 329.55
    dibutyl ether 384.12
    2,6-dimethyl-4-heptanol 305.45
    DEF 437.1
    dimethyl isosorbide 623.17
    tetrachloroethylene 284.04
    eugenol 265.69
    triacetin 322.07
    span 80 574.62
    1,4-butanediol 592.04
    1,1-dichloroethane 265.17
    2-methyl-1-pentanol 553.29
    methyl formate 348.52
    2-methyl-1-butanol 844.21
    n-decane 59.77
    butyronitrile 601.97
    3,7-dimethyl-1-octanol 415.85
    1-chlorooctane 164.89
    1-chlorotetradecane 62.73
    n-nonane 62.14
    undecane 41.0
    tert-butylcyclohexane 71.28
    cyclooctane 59.29
    cyclopentanol 1004.38
    tetrahydropyran 1398.49
    tert-amyl methyl ether 516.79
    2,5,8-trioxanonane 767.41
    1-hexene 301.63
    2-isopropoxyethanol 683.63
    2,2,2-trifluoroethanol 277.67
    methyl butyrate 376.01

    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