(3R)-octan-3-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    70492-66-9

    Molecular formula
    C8H18O

    SMILES
    CCCCC[C@@H](CC)O

    Retention indicies (RI)

    • DB5: 993.0

  • Odor profile

    Green 81.65%
    Oily 75.39%
    Herbal 71.99%
    Earthy 64.65%
    Fruity 59.99%
    Fatty 59.52%
    Musty 58.51%
    Mushroom 58.35%
    Sweet 55.2%
    Spicy 52.75%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    174°C

    Flash point est.
    67.86 ˚C

  • Synonyms

    • (R)-3-Octanol
    • 3-Octanol, (R)-
    • 70492-66-9
    • Octan-3R-ol
    • (3R)-octan-3-ol
    • 3OM
    • SCHEMBL6826458
    • 1g85
    • 3OL
    • LMFA05000490
    • AKOS006286267

  • Applications

    (3R)-Octan-3-ol, the enantiomer of 3-octanol, has broad applications: in flavors and fragrances it imparts fresh green, herbal, slightly fruity-citrus nuances and is used to fine-tune accords in perfumes, deodorants, shampoos, and to flavor beverages and confectionery; in organic synthesis it serves as a chiral building block and intermediate to make esters, carbamates, and oxidized derivatives, transferring stereochemical information when assembling side chains of pharmaceuticals and agrochemicals; in analysis and research it is employed as an enantiomeric standard for GC/HPLC and chiral sensors, to benchmark chiral stationary phases, probe stereoselective catalysts or enzymes, and model molecular interactions in hydrophobic media; it is also studied as a semiochemical/odor cue in chemical ecology and olfaction research, where the (R) configuration can yield perceptual differences relative to the (S) enantiomer.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10587.92
    methanol 7584.41
    isopropanol 11351.03
    water 0.52
    ethyl acetate 4505.46
    n-propanol 9311.85
    acetone 6220.02
    n-butanol 10238.4
    acetonitrile 3929.63
    DMF 2741.56
    toluene 1210.59
    isobutanol 6806.25
    1,4-dioxane 6262.59
    methyl acetate 2717.2
    THF 10592.4
    2-butanone 4520.16
    n-pentanol 5504.88
    sec-butanol 7894.2
    n-hexane 4028.53
    ethylene glycol 599.94
    NMP 1664.94
    cyclohexane 3340.39
    DMSO 3952.16
    n-butyl acetate 6918.67
    n-octanol 2217.79
    chloroform 7377.55
    n-propyl acetate 3329.07
    acetic acid 2971.5
    dichloromethane 5718.11
    cyclohexanone 5406.55
    propylene glycol 1346.33
    isopropyl acetate 2768.74
    DMAc 1313.59
    2-ethoxyethanol 3212.55
    isopentanol 7241.59
    n-heptane 3299.5
    ethyl formate 2482.6
    1,2-dichloroethane 3613.68
    n-hexanol 8243.32
    2-methoxyethanol 5300.06
    isobutyl acetate 1825.34
    tetrachloromethane 1746.06
    n-pentyl acetate 2505.97
    transcutol 6276.45
    n-heptanol 2763.51
    ethylbenzene 749.05
    MIBK 2309.77
    2-propoxyethanol 5881.68
    tert-butanol 10963.95
    MTBE 7011.85
    2-butoxyethanol 2868.68
    propionic acid 2877.32
    o-xylene 609.83
    formic acid 468.67
    diethyl ether 7938.03
    m-xylene 744.86
    p-xylene 959.06
    chlorobenzene 1530.12
    dimethyl carbonate 322.76
    n-octane 711.07
    formamide 608.41
    cyclopentanone 4547.79
    2-pentanone 4668.32
    anisole 1166.59
    cyclopentyl methyl ether 4198.88
    gamma-butyrolactone 3708.96
    1-methoxy-2-propanol 4194.23
    pyridine 4104.26
    3-pentanone 2077.66
    furfural 2267.19
    n-dodecane 284.97
    diethylene glycol 2061.89
    diisopropyl ether 2216.88
    tert-amyl alcohol 6524.96
    acetylacetone 2088.36
    n-hexadecane 319.17
    acetophenone 858.66
    methyl propionate 1898.15
    isopentyl acetate 4758.1
    trichloroethylene 4720.43
    n-nonanol 1742.51
    cyclohexanol 5474.22
    benzyl alcohol 1087.88
    2-ethylhexanol 5059.54
    isooctanol 2025.81
    dipropyl ether 7420.95
    1,2-dichlorobenzene 1073.9
    ethyl lactate 728.91
    propylene carbonate 2008.46
    n-methylformamide 1769.44
    2-pentanol 6338.17
    n-pentane 2868.77
    1-propoxy-2-propanol 5513.52
    1-methoxy-2-propyl acetate 2316.28
    2-(2-methoxypropoxy) propanol 1151.22
    mesitylene 489.63
    ε-caprolactone 4051.1
    p-cymene 781.76
    epichlorohydrin 4389.29
    1,1,1-trichloroethane 3602.24
    2-aminoethanol 2066.5
    morpholine-4-carbaldehyde 2181.2
    sulfolane 2731.76
    2,2,4-trimethylpentane 640.69
    2-methyltetrahydrofuran 8548.62
    n-hexyl acetate 2685.49
    isooctane 638.16
    2-(2-butoxyethoxy)ethanol 2077.3
    sec-butyl acetate 1940.66
    tert-butyl acetate 2341.5
    decalin 715.92
    glycerin 1120.18
    diglyme 3677.88
    acrylic acid 1435.73
    isopropyl myristate 822.04
    n-butyric acid 6920.67
    acetyl acetate 1312.58
    di(2-ethylhexyl) phthalate 520.7
    ethyl propionate 1998.07
    nitromethane 2871.34
    1,2-diethoxyethane 4689.89
    benzonitrile 1779.17
    trioctyl phosphate 529.93
    1-bromopropane 4946.62
    gamma-valerolactone 4731.29
    n-decanol 1143.4
    triethyl phosphate 662.01
    4-methyl-2-pentanol 2697.6
    propionitrile 4638.66
    vinylene carbonate 1429.7
    1,1,2-trichlorotrifluoroethane 2226.31
    DMS 712.27
    cumene 507.63
    2-octanol 1770.96
    2-hexanone 3887.83
    octyl acetate 972.98
    limonene 1754.89
    1,2-dimethoxyethane 5974.18
    ethyl orthosilicate 806.87
    tributyl phosphate 667.98
    diacetone alcohol 2058.22
    N,N-dimethylaniline 675.07
    acrylonitrile 3086.72
    aniline 1729.88
    1,3-propanediol 3711.09
    bromobenzene 1549.89
    dibromomethane 5128.33
    1,1,2,2-tetrachloroethane 4016.15
    2-methyl-cyclohexyl acetate 1508.08
    tetrabutyl urea 750.64
    diisobutyl methanol 2034.04
    2-phenylethanol 1588.72
    styrene 997.74
    dioctyl adipate 913.58
    dimethyl sulfate 381.37
    ethyl butyrate 3760.72
    methyl lactate 655.97
    butyl lactate 1406.04
    diethyl carbonate 1475.76
    propanediol butyl ether 1877.72
    triethyl orthoformate 2094.63
    p-tert-butyltoluene 756.58
    methyl 4-tert-butylbenzoate 742.71
    morpholine 8533.44
    tert-butylamine 9168.58
    n-dodecanol 829.43
    dimethoxymethane 2250.06
    ethylene carbonate 1717.17
    cyrene 660.74
    2-ethoxyethyl acetate 1881.66
    2-ethylhexyl acetate 3509.82
    1,2,4-trichlorobenzene 1077.74
    4-methylpyridine 3615.29
    dibutyl ether 4122.87
    2,6-dimethyl-4-heptanol 2034.04
    DEF 3140.51
    dimethyl isosorbide 1475.49
    tetrachloroethylene 2993.41
    eugenol 759.93
    triacetin 1039.16
    span 80 1530.35
    1,4-butanediol 1211.13
    1,1-dichloroethane 5500.68
    2-methyl-1-pentanol 3779.47
    methyl formate 966.24
    2-methyl-1-butanol 5767.35
    n-decane 620.61
    butyronitrile 7369.77
    3,7-dimethyl-1-octanol 2030.27
    1-chlorooctane 1471.18
    1-chlorotetradecane 456.18
    n-nonane 754.34
    undecane 396.03
    tert-butylcyclohexane 737.56
    cyclooctane 838.78
    cyclopentanol 5240.79
    tetrahydropyran 11246.22
    tert-amyl methyl ether 3493.23
    2,5,8-trioxanonane 1742.4
    1-hexene 7450.81
    2-isopropoxyethanol 2394.53
    2,2,2-trifluoroethanol 451.8
    methyl butyrate 3332.44

    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
Pennyroyal 2 8013-99-8 Mentha pulegium L. (C.R. variety), fam. Lamiaceae (Labiatae) 2.08%
Pennyroyal 3 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 1.8%
Peppermint (USA) 2 8006-90-4 Mentha piperita L. cultivar Mitcham, fam. Lamiaceae (Labiatae) 0.3%