Heptanol

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  • Identifiers

    CAS number
    111-70-6

    Molecular formula
    C7H16O

    SMILES
    CCCCCCCO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 975.75
    • Carbowax: 1453.14

  • Odor profile

    Green 87.53%
    Sweet 78.04%
    Fatty 74.21%
    Oily 74.08%
    Herbal 73.74%
    Fruity 64.98%
    Fresh 62.9%
    Floral 59.15%
    Musty 58.62%
    Earthy 54.51%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.06 [mmHg]. [Hawley] Odor threshold (recognition) from CHEMINFO
    • Odor perception threshold is 2.0 mg/L... .

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -29 °F (USCG, 1999)
    • -34.6 °C
    • -34.1 °C
    • -34 °C

    Boiling point

    • 349 °F at 760 mmHg (USCG, 1999)
    • 175.8 °C at 760 mm Hg
    • BP: 155.6 °C at 400 mm Hg; 136.6 °C at 200 mm Hg; 119.5 °C at 100 mm Hg; ... 85.8 °C at 20 mm Hg; 74.7 °C at 10 mm Hg; 64.3 °C at 5 mm Hg; 42.4deg C at 1.0 mm Hg
    • 175.00 to 176.00 °C. @ 760.00 mm Hg
    • 175 °C

    Flash point est.
    70.31 ˚C

    Flash point expt.

    • 170 °F (USCG, 1999)
    • 76.6 °C
    • 71 °C
    • 70 °C c.c.

    Solubility expt.

    • Miscible with alcohol, ether
    • 1.0 g/L of water at 18 °C; 2.85 g/L of water at 100 °C; 5.15 g/L of water at 130 °C
    • In water, 1,670 mg/L at 25 °C
    • 1740 ppm (wt) at 25 °C
    • Slightly soluble in carbon tetrachloride; soluble in ethanol, ether
    • 1.67 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.1
    • slightly soluble in water; miscible with alcohol, ether, most fixed oils
    • 1 ml in 2 ml 60% alcohol (in ethanol)

  • Synonyms

    • 1-HEPTANOL
    • Heptan-1-ol
    • Heptyl alcohol
    • 111-70-6
    • Heptanol
    • n-Heptanol
    • Enanthic alcohol
    • n-Heptyl alcohol
    • Gentanol
    • Hydroxy heptane
    • n-Heptan-1-ol
    • Enanthyl alcohol
    • 1-Hydroxyheptane
    • Hydroxyheptane
    • Alcohol C-7
    • Hexyl carbinol
    • C7 alcohol
    • n-Heptanol-1
    • Pri-n-heptyl alcohol
    • Heptyl alcohol, primary
    • 1-heptyl alcohol
    • FEMA Number 2548
    • Heptyl alcohol (natural)
    • 53535-33-4
    • FEMA No. 2548
    • HSDB 1077
    • heptanol-1
    • HEPTYL ALCOHOL, N-
    • NSC 3703
    • EINECS 203-897-9
    • Heptane-1-ol
    • l'Alcool n-heptylique primaire
    • BRN 1731686
    • DTXSID8021937
    • AI3-15363
    • FEMA 2548
    • n-Heptyl--d7 Alcohol
    • NSC-3703
    • 1-HEPTANOL [MI]
    • n-C7H15OH
    • 1-HEPTANOL [HSDB]
    • HEPTYL ALCOHOL [FCC]
    • 1219804-99-5
    • HEPTYL ALCOHOL [FHFI]
    • N-HEPTYL-D15 ALCOHOL
    • DTXCID601937
    • CHEBI:43003
    • NSC3703
    • EC 203-897-9
    • 8JQ5607IO5
    • 4-01-00-01731 (Beilstein Handbook Reference)
    • EINECS 258-615-7
    • n Heptanol
    • N-Heptanol-1 [French]
    • Alcohol, Heptyl
    • 1 Heptanol
    • CAS-111-70-6
    • 38007-42-0
    • MFCD00002986
    • l'Alcool N-heptylique primaire [French]
    • nHeptanol
    • n-heptylalcohol
    • 1Hydroxyheptane
    • nHeptyl alcohol
    • UNII-8JQ5607IO5
    • nHeptan1ol
    • NHeptanol1
    • Prinheptyl alcohol
    • 1-Heptanol purum
    • Alcohol C7
    • 1-Hept
    • Heptyl alcohol, 8CI
    • 1-Heptanol, 98%
    • starbld0033280
    • SCHEMBL2077
    • l'Alcool Nheptylique primaire
    • WLN: Q7
    • CHEMBL273459
    • Heptyl alcohol, natural, 98%
    • 1-Heptanol, analytical standard
    • BDBM22605
    • CHEBI:88619
    • DTXCID401507100
    • DTXSID401022221
    • Tox21_201247
    • Tox21_303470
    • 1-Heptanol, >=99.5% (GC)
    • LMFA05000122
    • STL280281
    • Heptyl alcohol, >=97%, FCC, FG
    • AKOS000120104
    • HY-W099504
    • 1-Heptanol, purum, >=99.0% (GC)
    • NCGC00249005-01
    • NCGC00257506-01
    • NCGC00258799-01
    • BP-31150
    • LS-13378
    • CS-0152146
    • H0033
    • NS00007978
    • EN300-19352
    • Q113820
    • F0001-0245
    • Z104473596
    • 258-615-7

  • Applications

    Heptyl alcohol (1-heptanol, CAS 111-70-6) serves widely as a versatile solvent for resins, oils and poorly water-soluble actives, an intermediate for fragrance and flavor esters, a volatility controller in paints, inks, foaming agents and surfactants, a precursor to plasticizers and ester-based lubricants for flexible polymers, an anti-freeze and corrosion-inhibiting additive in fuels, and it is also incorporated into pesticide formulations, disinfectants, specialty cleaners and petrochemical or biochemical research applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34393.55
    methanol 36311.9
    isopropanol 30396.31
    water 1.71
    ethyl acetate 10277.0
    n-propanol 28954.91
    acetone 22931.1
    n-butanol 27786.1
    acetonitrile 9359.67
    DMF 10679.58
    toluene 1971.68
    isobutanol 18138.6
    1,4-dioxane 10675.49
    methyl acetate 6160.61
    THF 21907.89
    2-butanone 11876.62
    n-pentanol 11068.91
    sec-butanol 17235.54
    n-hexane 4000.06
    ethylene glycol 3172.15
    NMP 5610.62
    cyclohexane 3769.38
    DMSO 22907.75
    n-butyl acetate 11332.72
    n-octanol 2767.98
    chloroform 10113.77
    n-propyl acetate 7289.98
    acetic acid 10722.4
    dichloromethane 9580.52
    cyclohexanone 14840.65
    propylene glycol 5082.39
    isopropyl acetate 5293.67
    DMAc 2837.04
    2-ethoxyethanol 7780.86
    isopentanol 17160.33
    n-heptane 2658.7
    ethyl formate 6803.42
    1,2-dichloroethane 8000.64
    n-hexanol 13019.27
    2-methoxyethanol 17530.89
    isobutyl acetate 3092.75
    tetrachloromethane 3120.58
    n-pentyl acetate 3610.36
    transcutol 14159.55
    n-heptanol 3560.24
    ethylbenzene 1014.48
    MIBK 4958.3
    2-propoxyethanol 11715.43
    tert-butanol 24056.75
    MTBE 9879.6
    2-butoxyethanol 4771.34
    propionic acid 10351.41
    o-xylene 946.75
    formic acid 2631.51
    diethyl ether 12577.33
    m-xylene 1287.73
    p-xylene 1300.14
    chlorobenzene 2619.95
    dimethyl carbonate 993.36
    n-octane 576.54
    formamide 4278.58
    cyclopentanone 15345.84
    2-pentanone 13136.94
    anisole 1820.25
    cyclopentyl methyl ether 10585.57
    gamma-butyrolactone 12341.22
    1-methoxy-2-propanol 11975.65
    pyridine 7966.9
    3-pentanone 5585.14
    furfural 6119.21
    n-dodecane 197.1
    diethylene glycol 5012.91
    diisopropyl ether 2902.76
    tert-amyl alcohol 12353.92
    acetylacetone 5927.89
    n-hexadecane 224.2
    acetophenone 1482.18
    methyl propionate 5811.31
    isopentyl acetate 6926.74
    trichloroethylene 9922.89
    n-nonanol 2052.0
    cyclohexanol 13433.32
    benzyl alcohol 2024.87
    2-ethylhexanol 6282.29
    isooctanol 2578.54
    dipropyl ether 9904.4
    1,2-dichlorobenzene 1896.2
    ethyl lactate 1506.92
    propylene carbonate 4837.03
    n-methylformamide 10119.23
    2-pentanol 14348.21
    n-pentane 3061.02
    1-propoxy-2-propanol 10212.89
    1-methoxy-2-propyl acetate 4058.74
    2-(2-methoxypropoxy) propanol 1527.86
    mesitylene 780.29
    ε-caprolactone 9615.05
    p-cymene 998.55
    epichlorohydrin 10682.45
    1,1,1-trichloroethane 6670.86
    2-aminoethanol 9996.29
    morpholine-4-carbaldehyde 5318.47
    sulfolane 10832.39
    2,2,4-trimethylpentane 712.76
    2-methyltetrahydrofuran 17623.18
    n-hexyl acetate 3917.56
    isooctane 677.17
    2-(2-butoxyethoxy)ethanol 3358.93
    sec-butyl acetate 3237.3
    tert-butyl acetate 4656.25
    decalin 816.78
    glycerin 3816.66
    diglyme 6749.03
    acrylic acid 5479.41
    isopropyl myristate 955.45
    n-butyric acid 20299.37
    acetyl acetate 2632.61
    di(2-ethylhexyl) phthalate 621.66
    ethyl propionate 4452.94
    nitromethane 11708.36
    1,2-diethoxyethane 7110.61
    benzonitrile 2864.98
    trioctyl phosphate 681.41
    1-bromopropane 7011.37
    gamma-valerolactone 12637.4
    n-decanol 1333.0
    triethyl phosphate 932.5
    4-methyl-2-pentanol 4709.49
    propionitrile 10344.19
    vinylene carbonate 3473.57
    1,1,2-trichlorotrifluoroethane 5653.67
    DMS 1198.25
    cumene 674.73
    2-octanol 2233.52
    2-hexanone 7870.4
    octyl acetate 1246.63
    limonene 2392.5
    1,2-dimethoxyethane 11532.92
    ethyl orthosilicate 1170.7
    tributyl phosphate 917.8
    diacetone alcohol 5441.48
    N,N-dimethylaniline 990.09
    acrylonitrile 8868.42
    aniline 4081.81
    1,3-propanediol 14110.37
    bromobenzene 2345.29
    dibromomethane 8045.88
    1,1,2,2-tetrachloroethane 8239.36
    2-methyl-cyclohexyl acetate 2184.83
    tetrabutyl urea 1055.2
    diisobutyl methanol 2905.43
    2-phenylethanol 2510.77
    styrene 1425.06
    dioctyl adipate 1152.7
    dimethyl sulfate 1244.69
    ethyl butyrate 6201.01
    methyl lactate 1861.19
    butyl lactate 2368.32
    diethyl carbonate 2077.48
    propanediol butyl ether 3263.68
    triethyl orthoformate 2904.7
    p-tert-butyltoluene 941.92
    methyl 4-tert-butylbenzoate 1037.9
    morpholine 17059.61
    tert-butylamine 17232.89
    n-dodecanol 914.44
    dimethoxymethane 6500.12
    ethylene carbonate 3807.17
    cyrene 1006.99
    2-ethoxyethyl acetate 2969.04
    2-ethylhexyl acetate 4890.5
    1,2,4-trichlorobenzene 1797.83
    4-methylpyridine 6704.75
    dibutyl ether 5418.71
    2,6-dimethyl-4-heptanol 2905.43
    DEF 8490.11
    dimethyl isosorbide 2214.83
    tetrachloroethylene 7275.71
    eugenol 1121.11
    triacetin 1443.91
    span 80 2107.03
    1,4-butanediol 3658.0
    1,1-dichloroethane 8670.95
    2-methyl-1-pentanol 6300.46
    methyl formate 4818.68
    2-methyl-1-butanol 13816.73
    n-decane 463.64
    butyronitrile 15098.55
    3,7-dimethyl-1-octanol 2746.53
    1-chlorooctane 1636.76
    1-chlorotetradecane 412.68
    n-nonane 588.69
    undecane 285.05
    tert-butylcyclohexane 846.82
    cyclooctane 917.29
    cyclopentanol 15544.72
    tetrahydropyran 20366.24
    tert-amyl methyl ether 5156.35
    2,5,8-trioxanonane 2643.51
    1-hexene 8820.65
    2-isopropoxyethanol 4374.05
    2,2,2-trifluoroethanol 1758.44
    methyl butyrate 7713.41

    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
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Tangerine (Brazil) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (Mexico) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (USA-California) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (USA-Florida) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.01%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.18%
Narcissus (Japan) 1b 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amaryllidaceae 1.22%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Strawberry leaf 1 90131-36-5 Fragaria x ananassa Duch., cultivar Bounty, fam. Rosaceae 1.55%
Strawberry leaf 2 90131-36-5 Fragaria x ananassa Duch., cultivar Honeoye, fam. Rosaceae 2.27%
Strawberry leaf 3 90131-36-5 Fragaria x ananassa Duch., cultivar Kent, fam. Rosaceae 1.51%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.01%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Orange, sweet (USA) (hydrocarbon-free) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.11%
Zanthoxylum avicennae (China) Zanthoxylum avicennae (Lam.) DC., fam. Rutaceae 0.4%
Orange leaf, sweet (Mauritius) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.76%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 0.1%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.3%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.01%
Citrus japonica peel (Vietnam) Citrus japonica L., fam. Rutaceae 0.05%
Rose (Bulgaria) 3b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.09%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.57%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Anthoxanthum odoratum (Italy) 1a fresh leaf Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.01%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.1%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.01%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%