2-Heptanol, 5-ethyl-

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  • Identifiers

    CAS number
    19780-40-6

    Molecular formula
    C9H20O

    SMILES
    CCC(CC)CCC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 66.96%
    Oily 56.62%
    Fruity 53.3%
    Green 51.62%
    Fatty 48.23%
    Waxy 47.0%
    Citrus 46.98%
    Woody 45.82%
    Sweet 44.83%
    Fresh 44.05%

     

    Flavor
    Green 64.96%
    Floral 54.61%
    Fresh 54.49%
    Citrus 48.8%
    Waxy 45.37%
    Oily 39.96%
    Mushroom 39.05%
    Herbal 37.87%
    Earthy 37.13%
    Woody 35.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.62 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    190°C

    Flash point

    • 77.18 ˚C est.

  • Synonyms

    • 2-Heptanol, 5-ethyl-
    • 5-ETHYL-2-HEPTANOL
    • DTXSID20880760
    • RefChem:87247
    • DTXCID201022120
    • DYNOLYWQCYQCKX-UHFFFAOYSA-N
    • 5-ethylheptan-2-ol
    • 19780-40-6
    • SCHEMBL8371931
    • AKOS006271468
    • CS-0278523
    • NS00096033
    • EN300-1870184
    • 19780-40-6

  • Applications

    2-Heptanol, 5-ethyl- (CAS 19780-40-6) is a branched long-chain secondary alcohol used across several fragrance- and specialty-chemical applications. In perfumery and cosmetics, it is commonly evaluated as a fragrance ingredient and odorant, and may function as a solvent or carrier for fragrance oils. It also serves as an intermediate in industrial manufacturing for the synthesis of esters and other fragrance-related compounds. In coatings, inks, and adhesives, it can act as a processing solvent and co-solvent to dissolve resins and improve formulation workability. In household products and cleaners, it may be included as an odorant component or fragrance co-solvent to support scent performance. In polymer and plastics processing, it can serve as a processing aid or plasticizer in certain formulations. Overall, its use is formulation- and regulation-dependent, subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2250.56
    methanol 1175.71
    isopropanol 2531.55
    water 0.26
    ethyl acetate 914.32
    n-propanol 2096.87
    acetone 1319.05
    n-butanol 2156.68
    acetonitrile 815.11
    DMF 661.17
    toluene 369.84
    isobutanol 1499.33
    1,4-dioxane 1933.05
    methyl acetate 695.16
    THF 3563.01
    2-butanone 1105.01
    n-pentanol 1141.49
    sec-butanol 1783.16
    n-hexane 673.21
    ethylene glycol 162.07
    NMP 578.23
    cyclohexane 813.31
    DMSO 1036.03
    n-butyl acetate 1443.42
    n-octanol 598.17
    chloroform 2103.8
    n-propyl acetate 607.38
    acetic acid 611.93
    dichloromethane 1600.6
    cyclohexanone 1637.29
    propylene glycol 428.03
    isopropyl acetate 559.04
    DMAc 379.11
    2-ethoxyethanol 743.85
    isopentanol 1592.23
    n-heptane 789.39
    ethyl formate 565.77
    1,2-dichloroethane 987.86
    n-hexanol 2241.58
    2-methoxyethanol 1284.15
    isobutyl acetate 380.72
    tetrachloromethane 474.39
    n-pentyl acetate 546.12
    transcutol 1662.37
    n-heptanol 734.99
    ethylbenzene 219.99
    MIBK 505.57
    2-propoxyethanol 1543.72
    tert-butanol 2676.64
    MTBE 1558.68
    2-butoxyethanol 758.73
    propionic acid 694.62
    o-xylene 224.41
    formic acid 94.75
    diethyl ether 1533.72
    m-xylene 253.76
    p-xylene 284.26
    chlorobenzene 432.63
    dimethyl carbonate 87.4
    n-octane 175.65
    formamide 129.42
    cyclopentanone 1479.51
    2-pentanone 1000.28
    anisole 337.44
    cyclopentyl methyl ether 1232.75
    gamma-butyrolactone 1226.7
    1-methoxy-2-propanol 1165.36
    pyridine 1020.48
    3-pentanone 512.62
    furfural 764.01
    n-dodecane 90.32
    diethylene glycol 612.57
    diisopropyl ether 431.2
    tert-amyl alcohol 1590.34
    acetylacetone 567.13
    n-hexadecane 101.49
    acetophenone 255.2
    methyl propionate 463.68
    isopentyl acetate 1052.66
    trichloroethylene 1289.03
    n-nonanol 486.37
    cyclohexanol 1522.49
    benzyl alcohol 298.65
    2-ethylhexanol 1255.06
    isooctanol 525.82
    dipropyl ether 1648.55
    1,2-dichlorobenzene 336.76
    ethyl lactate 195.28
    propylene carbonate 638.73
    n-methylformamide 392.47
    2-pentanol 1338.14
    n-pentane 572.01
    1-propoxy-2-propanol 1434.62
    1-methoxy-2-propyl acetate 711.85
    2-(2-methoxypropoxy) propanol 422.78
    mesitylene 173.78
    ε-caprolactone 1152.76
    p-cymene 263.45
    epichlorohydrin 1378.4
    1,1,1-trichloroethane 1026.32
    2-aminoethanol 524.18
    morpholine-4-carbaldehyde 736.72
    sulfolane 1011.95
    2,2,4-trimethylpentane 164.23
    2-methyltetrahydrofuran 2648.29
    n-hexyl acetate 715.36
    isooctane 149.21
    2-(2-butoxyethoxy)ethanol 688.08
    sec-butyl acetate 373.23
    tert-butyl acetate 549.03
    decalin 196.08
    glycerin 347.25
    diglyme 1104.69
    acrylic acid 346.5
    isopropyl myristate 271.56
    n-butyric acid 1467.68
    acetyl acetate 322.68
    di(2-ethylhexyl) phthalate 202.21
    ethyl propionate 417.68
    nitromethane 633.66
    1,2-diethoxyethane 1033.12
    benzonitrile 470.7
    trioctyl phosphate 200.32
    1-bromopropane 1337.3
    gamma-valerolactone 1438.3
    n-decanol 348.31
    triethyl phosphate 229.39
    4-methyl-2-pentanol 604.06
    propionitrile 969.63
    vinylene carbonate 445.94
    1,1,2-trichlorotrifluoroethane 652.92
    DMS 241.29
    cumene 160.36
    2-octanol 472.3
    2-hexanone 739.6
    octyl acetate 326.67
    limonene 600.17
    1,2-dimethoxyethane 1384.88
    ethyl orthosilicate 254.87
    tributyl phosphate 235.66
    diacetone alcohol 633.96
    N,N-dimethylaniline 210.67
    acrylonitrile 662.01
    aniline 483.66
    1,3-propanediol 897.31
    bromobenzene 448.17
    dibromomethane 1430.49
    1,1,2,2-tetrachloroethane 1137.26
    2-methyl-cyclohexyl acetate 483.84
    tetrabutyl urea 274.33
    diisobutyl methanol 552.63
    2-phenylethanol 470.47
    styrene 256.08
    dioctyl adipate 328.02
    dimethyl sulfate 123.25
    ethyl butyrate 815.95
    methyl lactate 198.47
    butyl lactate 389.8
    diethyl carbonate 381.85
    propanediol butyl ether 581.23
    triethyl orthoformate 528.64
    p-tert-butyltoluene 266.49
    methyl 4-tert-butylbenzoate 291.28
    morpholine 2440.46
    tert-butylamine 1976.46
    n-dodecanol 267.82
    dimethoxymethane 540.96
    ethylene carbonate 473.51
    cyrene 281.14
    2-ethoxyethyl acetate 477.7
    2-ethylhexyl acetate 840.53
    1,2,4-trichlorobenzene 376.07
    4-methylpyridine 886.75
    dibutyl ether 885.88
    2,6-dimethyl-4-heptanol 552.63
    DEF 680.61
    dimethyl isosorbide 629.15
    tetrachloroethylene 748.84
    eugenol 268.54
    triacetin 347.93
    span 80 562.49
    1,4-butanediol 280.3
    1,1-dichloroethane 1380.99
    2-methyl-1-pentanol 798.62
    methyl formate 231.08
    2-methyl-1-butanol 1322.56
    n-decane 174.34
    butyronitrile 1501.51
    3,7-dimethyl-1-octanol 560.78
    1-chlorooctane 420.54
    1-chlorotetradecane 150.61
    n-nonane 197.72
    undecane 120.4
    tert-butylcyclohexane 198.05
    cyclooctane 225.13
    cyclopentanol 1548.36
    tetrahydropyran 3152.32
    tert-amyl methyl ether 844.45
    2,5,8-trioxanonane 650.28
    1-hexene 1294.13
    2-isopropoxyethanol 551.09
    2,2,2-trifluoroethanol 111.14
    methyl butyrate 632.25

    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