1-Hepten-4-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3521-91-3

    Molecular formula
    C7H14O

    SMILES
    CCCC(CC=C)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 79.77%
    Fruity 69.58%
    Earthy 51.88%
    Mushroom 46.37%
    Metallic 42.71%
    Pungent 41.27%
    Vegetable 40.43%
    Cheesy 36.27%
    Ethereal 33.25%
    Oily 31.36%

     

    Flavor
    Green 55.41%
    Oily 36.25%
    Vegetable 30.52%
    Tropical 30.36%
    Earthy 29.88%
    Spicy 28.76%
    Mushroom 28.4%
    Herbal 27.72%
    Fishy 27.68%
    Pungent 26.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.38 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    153°C

    Flash point

    • 51.64 ˚C est.

  • Synonyms

    • 1-HEPTEN-4-OL
    • 3521-91-3
    • EINECS 222-535-0
    • NSC 163329
    • AI3-28622
    • DTXSID00871030
    • RefChem:75868
    • DTXCID20818705
    • AQTUHJABKZECGA-UHFFFAOYSA-N
    • hept-1-en-4-ol
    • MFCD00021933
    • NSC163329
    • SCHEMBL336165
    • SCHEMBL1906078
    • SCHEMBL5346250
    • SCHEMBL6406597
    • SCHEMBL6851758
    • AKOS009156473
    • NSC-163329
    • AS-76017
    • CS-0236276
    • NS00047854
    • EN300-1700081
    • 3521-91-3

  • Applications

    1-Hepten-4-ol (CAS 3521-91-3) is seen as a reactive intermediate in organic synthesis and a building block for fragrance and specialty chemicals; in perfumery it can function as an odorant or fragrance precursor; in cosmetics and personal care it may be used as a fragrance component; in household and cleaning products it can serve as a fragrance additive or processing aid; in coatings and inks it acts as a reactive intermediate or functional additive; and in polymer chemistry it can operate as a functional monomer or compatible additive for specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1461.1
    methanol 1496.27
    isopropanol 1111.06
    water 1.18
    ethyl acetate 306.9
    n-propanol 1081.53
    acetone 508.41
    n-butanol 1043.19
    acetonitrile 378.6
    DMF 451.89
    toluene 113.32
    isobutanol 744.9
    1,4-dioxane 842.86
    methyl acetate 280.41
    THF 1454.78
    2-butanone 390.59
    n-pentanol 688.67
    sec-butanol 855.19
    n-hexane 337.69
    ethylene glycol 189.81
    NMP 392.08
    cyclohexane 332.43
    DMSO 769.78
    n-butyl acetate 662.78
    n-octanol 397.32
    chloroform 755.06
    n-propyl acetate 295.65
    acetic acid 569.2
    dichloromethane 580.29
    cyclohexanone 634.67
    propylene glycol 309.03
    isopropyl acetate 191.18
    DMAc 231.82
    2-ethoxyethanol 466.67
    isopentanol 713.1
    n-heptane 428.17
    ethyl formate 267.84
    1,2-dichloroethane 331.54
    n-hexanol 1341.73
    2-methoxyethanol 748.55
    isobutyl acetate 198.17
    tetrachloromethane 168.93
    n-pentyl acetate 250.81
    transcutol 1106.25
    n-heptanol 405.17
    ethylbenzene 86.04
    MIBK 223.86
    2-propoxyethanol 909.04
    tert-butanol 981.29
    MTBE 504.38
    2-butoxyethanol 405.96
    propionic acid 484.39
    o-xylene 82.86
    formic acid 147.02
    diethyl ether 590.03
    m-xylene 94.48
    p-xylene 116.84
    chlorobenzene 181.11
    dimethyl carbonate 52.27
    n-octane 90.01
    formamide 128.09
    cyclopentanone 608.36
    2-pentanone 371.86
    anisole 158.36
    cyclopentyl methyl ether 509.64
    gamma-butyrolactone 553.01
    1-methoxy-2-propanol 538.88
    pyridine 413.8
    3-pentanone 204.15
    furfural 391.1
    n-dodecane 56.5
    diethylene glycol 477.27
    diisopropyl ether 177.86
    tert-amyl alcohol 645.19
    acetylacetone 210.84
    n-hexadecane 61.15
    acetophenone 134.66
    methyl propionate 196.97
    isopentyl acetate 483.99
    trichloroethylene 467.68
    n-nonanol 319.62
    cyclohexanol 683.71
    benzyl alcohol 174.3
    2-ethylhexanol 702.91
    isooctanol 289.99
    dipropyl ether 686.12
    1,2-dichlorobenzene 150.92
    ethyl lactate 124.76
    propylene carbonate 312.62
    n-methylformamide 281.79
    2-pentanol 627.89
    n-pentane 292.5
    1-propoxy-2-propanol 784.62
    1-methoxy-2-propyl acetate 304.59
    2-(2-methoxypropoxy) propanol 302.45
    mesitylene 75.55
    ε-caprolactone 467.03
    p-cymene 126.15
    epichlorohydrin 541.11
    1,1,1-trichloroethane 303.43
    2-aminoethanol 423.35
    morpholine-4-carbaldehyde 402.71
    sulfolane 585.92
    2,2,4-trimethylpentane 87.65
    2-methyltetrahydrofuran 953.7
    n-hexyl acetate 372.27
    isooctane 84.06
    2-(2-butoxyethoxy)ethanol 453.38
    sec-butyl acetate 168.47
    tert-butyl acetate 208.0
    decalin 96.63
    glycerin 308.35
    diglyme 603.2
    acrylic acid 278.46
    isopropyl myristate 161.28
    n-butyric acid 740.6
    acetyl acetate 130.96
    di(2-ethylhexyl) phthalate 140.32
    ethyl propionate 178.27
    nitromethane 427.67
    1,2-diethoxyethane 464.03
    benzonitrile 236.27
    trioctyl phosphate 130.36
    1-bromopropane 427.07
    gamma-valerolactone 613.33
    n-decanol 236.79
    triethyl phosphate 117.09
    4-methyl-2-pentanol 291.14
    propionitrile 410.89
    vinylene carbonate 242.06
    1,1,2-trichlorotrifluoroethane 332.36
    DMS 139.31
    cumene 80.29
    2-octanol 268.67
    2-hexanone 369.45
    octyl acetate 200.49
    limonene 271.13
    1,2-dimethoxyethane 711.77
    ethyl orthosilicate 131.88
    tributyl phosphate 149.42
    diacetone alcohol 273.78
    N,N-dimethylaniline 122.67
    acrylonitrile 316.77
    aniline 191.65
    1,3-propanediol 575.81
    bromobenzene 162.25
    dibromomethane 518.05
    1,1,2,2-tetrachloroethane 419.8
    2-methyl-cyclohexyl acetate 256.29
    tetrabutyl urea 185.85
    diisobutyl methanol 282.93
    2-phenylethanol 268.41
    styrene 104.9
    dioctyl adipate 202.52
    dimethyl sulfate 80.0
    ethyl butyrate 349.83
    methyl lactate 120.81
    butyl lactate 219.59
    diethyl carbonate 178.79
    propanediol butyl ether 389.91
    triethyl orthoformate 250.89
    p-tert-butyltoluene 124.97
    methyl 4-tert-butylbenzoate 174.27
    morpholine 1003.25
    tert-butylamine 756.47
    n-dodecanol 187.05
    dimethoxymethane 309.84
    ethylene carbonate 231.68
    cyrene 200.61
    2-ethoxyethyl acetate 218.76
    2-ethylhexyl acetate 367.05
    1,2,4-trichlorobenzene 166.89
    4-methylpyridine 344.47
    dibutyl ether 433.09
    2,6-dimethyl-4-heptanol 282.93
    DEF 291.78
    dimethyl isosorbide 422.47
    tetrachloroethylene 308.78
    eugenol 191.27
    triacetin 209.78
    span 80 380.89
    1,4-butanediol 245.22
    1,1-dichloroethane 406.02
    2-methyl-1-pentanol 470.03
    methyl formate 171.92
    2-methyl-1-butanol 660.46
    n-decane 97.27
    butyronitrile 632.57
    3,7-dimethyl-1-octanol 347.85
    1-chlorooctane 218.45
    1-chlorotetradecane 92.92
    n-nonane 109.23
    undecane 71.59
    tert-butylcyclohexane 106.5
    cyclooctane 104.62
    cyclopentanol 728.84
    tetrahydropyran 1134.21
    tert-amyl methyl ether 317.78
    2,5,8-trioxanonane 460.02
    1-hexene 580.54
    2-isopropoxyethanol 326.02
    2,2,2-trifluoroethanol 95.29
    methyl butyrate 293.11

    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