4-Heptanol

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  • Identifiers

    CAS number
    589-55-9

    Molecular formula
    C7H16O

    SMILES
    CCCC(CCC)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Green 88.09%
    Fruity 80.84%
    Fermented 66.92%
    Alcoholic 66.51%
    Ethereal 59.04%
    Oily 58.68%
    Sweet 54.34%
    Winey 53.03%
    Pungent 51.44%
    Apple 48.66%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.06 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    152°C

    Flash point est.
    54.87 ˚C

  • Synonyms

    • 4-HEPTANOL
    • 589-55-9
    • Heptan-4-ol
    • Dipropylcarbinol
    • 4-Heptyl Alcohol
    • di-n-Propylcarbinol
    • Heptanol-4
    • UNII-YG7B8091BP
    • n-Heptan-4-ol
    • YG7B8091BP
    • NSC 8695
    • NSC-8695
    • CH3(CH2)2CHOH(CH2)2CH3
    • EINECS 209-651-7
    • MFCD00021934
    • DTXSID1060429
    • YVBCULSIZWMTFY-UHFFFAOYSA-
    • Heptan4ol
    • NSC8695
    • 4-?Heptanol
    • SCHEMBL22249
    • DTXCID6042492
    • CHEBI:165516
    • LMFA05000484
    • AKOS000249481
    • BS-23251
    • SY050912
    • CS-0132313
    • H0036
    • NS00034048
    • H10221

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2007.3
    methanol 1867.0
    isopropanol 1830.54
    water 0.53
    ethyl acetate 595.85
    n-propanol 1827.38
    acetone 898.71
    n-butanol 1841.84
    acetonitrile 813.66
    DMF 656.29
    toluene 300.92
    isobutanol 1366.32
    1,4-dioxane 1408.88
    methyl acetate 485.85
    THF 2611.19
    2-butanone 764.57
    n-pentanol 1065.37
    sec-butanol 1580.23
    n-hexane 1210.85
    ethylene glycol 193.83
    NMP 808.36
    cyclohexane 1227.82
    DMSO 864.94
    n-butyl acetate 1294.69
    n-octanol 790.93
    chloroform 2417.08
    n-propyl acetate 564.27
    acetic acid 862.1
    dichloromethane 1732.99
    cyclohexanone 1509.17
    propylene glycol 418.31
    isopropyl acetate 388.74
    DMAc 361.91
    2-ethoxyethanol 588.22
    isopentanol 1252.18
    n-heptane 1282.69
    ethyl formate 513.39
    1,2-dichloroethane 898.64
    n-hexanol 2035.79
    2-methoxyethanol 1031.65
    isobutyl acetate 388.86
    tetrachloromethane 635.8
    n-pentyl acetate 642.62
    transcutol 1223.75
    n-heptanol 838.07
    ethylbenzene 236.74
    MIBK 381.96
    2-propoxyethanol 1270.48
    tert-butanol 1774.01
    MTBE 1034.5
    2-butoxyethanol 762.33
    propionic acid 882.42
    o-xylene 200.23
    formic acid 166.7
    diethyl ether 1211.13
    m-xylene 207.11
    p-xylene 322.32
    chlorobenzene 551.07
    dimethyl carbonate 89.4
    n-octane 326.75
    formamide 165.23
    cyclopentanone 1356.56
    2-pentanone 710.77
    anisole 333.65
    cyclopentyl methyl ether 1019.72
    gamma-butyrolactone 1287.17
    1-methoxy-2-propanol 798.67
    pyridine 979.48
    3-pentanone 434.79
    furfural 831.29
    n-dodecane 165.82
    diethylene glycol 541.2
    diisopropyl ether 369.86
    tert-amyl alcohol 1240.3
    acetylacetone 389.59
    n-hexadecane 182.68
    acetophenone 292.25
    methyl propionate 364.04
    isopentyl acetate 1000.85
    trichloroethylene 1288.84
    n-nonanol 635.52
    cyclohexanol 1508.51
    benzyl alcohol 339.87
    2-ethylhexanol 1313.39
    isooctanol 664.25
    dipropyl ether 1432.5
    1,2-dichlorobenzene 458.33
    ethyl lactate 217.66
    propylene carbonate 744.8
    n-methylformamide 450.67
    2-pentanol 1181.08
    n-pentane 872.6
    1-propoxy-2-propanol 1228.01
    1-methoxy-2-propyl acetate 478.95
    2-(2-methoxypropoxy) propanol 413.84
    mesitylene 157.57
    ε-caprolactone 1067.51
    p-cymene 307.9
    epichlorohydrin 1093.33
    1,1,1-trichloroethane 987.44
    2-aminoethanol 521.19
    morpholine-4-carbaldehyde 683.88
    sulfolane 1268.63
    2,2,4-trimethylpentane 227.25
    2-methyltetrahydrofuran 1978.97
    n-hexyl acetate 832.01
    isooctane 200.89
    2-(2-butoxyethoxy)ethanol 646.0
    sec-butyl acetate 339.15
    tert-butyl acetate 380.69
    decalin 306.05
    glycerin 402.39
    diglyme 958.08
    acrylic acid 549.11
    isopropyl myristate 355.5
    n-butyric acid 1413.67
    acetyl acetate 260.25
    di(2-ethylhexyl) phthalate 261.2
    ethyl propionate 368.61
    nitromethane 680.79
    1,2-diethoxyethane 770.0
    benzonitrile 583.68
    trioctyl phosphate 262.78
    1-bromopropane 1238.06
    gamma-valerolactone 1210.04
    n-decanol 448.1
    triethyl phosphate 256.71
    4-methyl-2-pentanol 512.85
    propionitrile 973.76
    vinylene carbonate 564.62
    1,1,2-trichlorotrifluoroethane 728.77
    DMS 251.83
    cumene 193.76
    2-octanol 608.88
    2-hexanone 711.13
    octyl acetate 415.89
    limonene 654.65
    1,2-dimethoxyethane 1085.83
    ethyl orthosilicate 282.28
    tributyl phosphate 307.98
    diacetone alcohol 444.55
    N,N-dimethylaniline 241.08
    acrylonitrile 732.07
    aniline 440.39
    1,3-propanediol 845.66
    bromobenzene 552.2
    dibromomethane 1535.67
    1,1,2,2-tetrachloroethane 1286.51
    2-methyl-cyclohexyl acetate 537.39
    tetrabutyl urea 368.62
    diisobutyl methanol 608.22
    2-phenylethanol 483.21
    styrene 293.06
    dioctyl adipate 413.6
    dimethyl sulfate 141.34
    ethyl butyrate 736.96
    methyl lactate 197.35
    butyl lactate 471.92
    diethyl carbonate 378.67
    propanediol butyl ether 610.29
    triethyl orthoformate 533.8
    p-tert-butyltoluene 297.02
    methyl 4-tert-butylbenzoate 350.91
    morpholine 1688.49
    tert-butylamine 1572.19
    n-dodecanol 349.78
    dimethoxymethane 411.47
    ethylene carbonate 548.24
    cyrene 313.41
    2-ethoxyethyl acetate 418.02
    2-ethylhexyl acetate 807.88
    1,2,4-trichlorobenzene 492.84
    4-methylpyridine 847.36
    dibutyl ether 1068.87
    2,6-dimethyl-4-heptanol 608.22
    DEF 578.53
    dimethyl isosorbide 641.55
    tetrachloroethylene 938.11
    eugenol 335.98
    triacetin 386.24
    span 80 608.19
    1,4-butanediol 330.15
    1,1-dichloroethane 1156.36
    2-methyl-1-pentanol 767.05
    methyl formate 282.16
    2-methyl-1-butanol 1167.41
    n-decane 312.45
    butyronitrile 1388.83
    3,7-dimethyl-1-octanol 687.51
    1-chlorooctane 629.95
    1-chlorotetradecane 248.69
    n-nonane 370.38
    undecane 216.71
    tert-butylcyclohexane 315.18
    cyclooctane 352.03
    cyclopentanol 1589.45
    tetrahydropyran 2418.0
    tert-amyl methyl ether 649.55
    2,5,8-trioxanonane 633.29
    1-hexene 1617.63
    2-isopropoxyethanol 437.21
    2,2,2-trifluoroethanol 172.17
    methyl butyrate 611.63

    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