Npc203641

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  • Identifiers

    CAS number
    128821-84-1

    Molecular formula
    C8H18O

    SMILES
    CCCC[C@H](CC)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.22%
    Oily 65.98%
    Floral 54.59%
    Fresh 49.24%
    Herbal 46.55%
    Fermented 44.75%
    Musty 44.43%
    Fatty 44.12%
    Fruity 42.16%
    Citrus 40.88%

     

    Flavor
    Green 67.35%
    Floral 62.78%
    Sweet 59.19%
    Fresh 51.72%
    Citrus 51.66%
    Waxy 46.7%
    Herbal 46.41%
    Rose 44.99%
    Orange 39.05%
    Fruity 39.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.76 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    181°C

    Flash point

    • 73.64 ˚C est.

  • Synonyms

    • RefChem:1092858
    • Npc203641
    • (2S)-2-ethylhexan-1-ol
    • 128821-84-1
    • (s)-2-ethyl-1-hexanol
    • 1-Hexanol, 2-ethyl-, (S)-
    • 2EH
    • s(+)2-ethylhexanol
    • (S)-2-Ethylhexan-1-ol
    • QSPL 012
    • SCHEMBL1019099
    • SCHEMBL9492501
    • 1-Hexanol, 2-ethyl-, (2S)-
    • SY423889
    • Q27452941
    • 128821-84-1

  • Applications

    Npc203641 (CAS 128821-84-1) may be used as an intermediate in organic synthesis; may serve as a solvent or processing aid in chemical manufacturing; may function as a plasticizer or stabilizer in polymer formulations; may be incorporated into coatings or inks; may appear in cleaning formulations or as an additive in formulation blends, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6791.77
    methanol 3332.3
    isopropanol 7505.76
    water 0.34
    ethyl acetate 2374.01
    n-propanol 5989.43
    acetone 3854.95
    n-butanol 5790.51
    acetonitrile 3159.62
    DMF 1863.61
    toluene 593.86
    isobutanol 4378.25
    1,4-dioxane 3986.41
    methyl acetate 1791.78
    THF 7053.46
    2-butanone 2742.57
    n-pentanol 2806.52
    sec-butanol 4650.57
    n-hexane 856.7
    ethylene glycol 383.54
    NMP 1247.88
    cyclohexane 1360.28
    DMSO 3236.59
    n-butyl acetate 4074.58
    n-octanol 1187.62
    chloroform 5333.65
    n-propyl acetate 1876.14
    acetic acid 2326.42
    dichloromethane 4962.96
    cyclohexanone 4053.35
    propylene glycol 892.78
    isopropyl acetate 1316.46
    DMAc 720.23
    2-ethoxyethanol 1744.74
    isopentanol 3982.45
    n-heptane 1142.78
    ethyl formate 1885.68
    1,2-dichloroethane 2919.5
    n-hexanol 4398.68
    2-methoxyethanol 3375.28
    isobutyl acetate 985.4
    tetrachloromethane 1123.1
    n-pentyl acetate 1384.42
    transcutol 3413.94
    n-heptanol 1498.38
    ethylbenzene 362.95
    MIBK 1218.3
    2-propoxyethanol 3200.05
    tert-butanol 6408.68
    MTBE 3192.76
    2-butoxyethanol 1667.76
    propionic acid 2180.26
    o-xylene 334.45
    formic acid 309.32
    diethyl ether 3406.49
    m-xylene 371.82
    p-xylene 478.19
    chlorobenzene 1096.26
    dimethyl carbonate 216.48
    n-octane 274.12
    formamide 483.13
    cyclopentanone 3673.6
    2-pentanone 2551.76
    anisole 658.43
    cyclopentyl methyl ether 2327.2
    gamma-butyrolactone 3292.39
    1-methoxy-2-propanol 2578.77
    pyridine 2771.64
    3-pentanone 1138.76
    furfural 1916.64
    n-dodecane 127.51
    diethylene glycol 1249.12
    diisopropyl ether 871.56
    tert-amyl alcohol 3547.51
    acetylacetone 1306.9
    n-hexadecane 144.64
    acetophenone 533.4
    methyl propionate 1139.24
    isopentyl acetate 2737.67
    trichloroethylene 3938.7
    n-nonanol 910.82
    cyclohexanol 3419.17
    benzyl alcohol 634.16
    2-ethylhexanol 2507.87
    isooctanol 1131.53
    dipropyl ether 3173.52
    1,2-dichlorobenzene 848.89
    ethyl lactate 437.9
    propylene carbonate 1758.78
    n-methylformamide 1418.41
    2-pentanol 3276.61
    n-pentane 857.31
    1-propoxy-2-propanol 3115.72
    1-methoxy-2-propyl acetate 1356.76
    2-(2-methoxypropoxy) propanol 660.46
    mesitylene 256.21
    ε-caprolactone 2854.75
    p-cymene 459.45
    epichlorohydrin 3728.07
    1,1,1-trichloroethane 2776.61
    2-aminoethanol 1327.98
    morpholine-4-carbaldehyde 1515.87
    sulfolane 2620.72
    2,2,4-trimethylpentane 259.23
    2-methyltetrahydrofuran 5318.52
    n-hexyl acetate 1473.0
    isooctane 254.48
    2-(2-butoxyethoxy)ethanol 1206.99
    sec-butyl acetate 953.07
    tert-butyl acetate 1173.24
    decalin 286.39
    glycerin 742.34
    diglyme 2265.53
    acrylic acid 1109.79
    isopropyl myristate 478.29
    n-butyric acid 4863.47
    acetyl acetate 754.96
    di(2-ethylhexyl) phthalate 320.84
    ethyl propionate 1019.41
    nitromethane 2541.14
    1,2-diethoxyethane 2171.91
    benzonitrile 1239.89
    trioctyl phosphate 339.51
    1-bromopropane 3143.2
    gamma-valerolactone 3646.66
    n-decanol 606.25
    triethyl phosphate 414.41
    4-methyl-2-pentanol 1323.92
    propionitrile 2980.0
    vinylene carbonate 1279.76
    1,1,2-trichlorotrifluoroethane 1734.69
    DMS 440.19
    cumene 254.01
    2-octanol 980.22
    2-hexanone 1940.34
    octyl acetate 589.6
    limonene 1003.9
    1,2-dimethoxyethane 3177.09
    ethyl orthosilicate 469.71
    tributyl phosphate 408.3
    diacetone alcohol 1311.26
    N,N-dimethylaniline 349.55
    acrylonitrile 2299.98
    aniline 969.25
    1,3-propanediol 2548.46
    bromobenzene 1055.64
    dibromomethane 4240.83
    1,1,2,2-tetrachloroethane 3045.26
    2-methyl-cyclohexyl acetate 915.8
    tetrabutyl urea 462.1
    diisobutyl methanol 1112.59
    2-phenylethanol 944.65
    styrene 490.14
    dioctyl adipate 564.11
    dimethyl sulfate 302.99
    ethyl butyrate 2057.34
    methyl lactate 430.36
    butyl lactate 867.61
    diethyl carbonate 864.59
    propanediol butyl ether 1154.68
    triethyl orthoformate 1118.25
    p-tert-butyltoluene 437.09
    methyl 4-tert-butylbenzoate 504.81
    morpholine 5393.28
    tert-butylamine 4700.91
    n-dodecanol 439.74
    dimethoxymethane 1274.39
    ethylene carbonate 1379.71
    cyrene 444.18
    2-ethoxyethyl acetate 1030.84
    2-ethylhexyl acetate 1874.38
    1,2,4-trichlorobenzene 867.08
    4-methylpyridine 2178.08
    dibutyl ether 1838.92
    2,6-dimethyl-4-heptanol 1112.59
    DEF 1671.33
    dimethyl isosorbide 1028.94
    tetrachloroethylene 2067.31
    eugenol 502.09
    triacetin 613.97
    span 80 924.34
    1,4-butanediol 722.08
    1,1-dichloroethane 3927.96
    2-methyl-1-pentanol 1875.76
    methyl formate 809.1
    2-methyl-1-butanol 3244.23
    n-decane 255.71
    butyronitrile 4726.17
    3,7-dimethyl-1-octanol 1046.26
    1-chlorooctane 763.34
    1-chlorotetradecane 244.17
    n-nonane 301.56
    undecane 170.03
    tert-butylcyclohexane 290.3
    cyclooctane 322.46
    cyclopentanol 3748.01
    tetrahydropyran 6596.25
    tert-amyl methyl ether 1573.54
    2,5,8-trioxanonane 1100.08
    1-hexene 2135.23
    2-isopropoxyethanol 1227.43
    2,2,2-trifluoroethanol 363.99
    methyl butyrate 1885.43

    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