1-Octanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    111-87-5

    Molecular formula
    C8H18O

    SMILES
    CCCCCCCCO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1075.14
    • Carbowax: 1553.57

  • Odor profile

    Green 75.03%
    Fatty 74.95%
    Floral 73.2%
    Sweet 72.08%
    Oily 69.62%
    Waxy 64.68%
    Fresh 64.17%
    Herbal 61.0%
    Citrus 60.25%
    Orange 57.33%

    Scent© AI

    Odor threshold>

    • [Hawley] Odor threshold low = 0.69 mg/m3
    • The odor and taste threshold for 1-octanol was reported at about 24 ppm.
    • 0.69 mg/cu m (Odor low) 0.69 mg/cu m (Odor high)
    • Odor perception threshold is 0.05 mg/L (for primary and secondary octyl alcohol).

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 5 °F (USCG, 1999)
    • -14.7 °C
    • -15.5 °C

    Boiling point

    • 383 °F at 760 mmHg (USCG, 1999)
    • 194.7 °C
    • 194.00 to 196.00 °C. @ 760.00 mm Hg
    • 194-195 °C

    Flash point est.
    79.95 ˚C

    Flash point expt.

    • 178 °F (USCG, 1999)
    • 81.1 °C
    • 178 °F (81 °C) (Closed cup)
    • 81 °C c.c.

    Solubility expt.

    • In water, 540 mg/L at 25 °C
    • Miscible in ethanol, ether; soluble in carbon tetrachloride
    • Miscible with chloroform, mineral oil; immiscible with glycerol
    • SOL IN PROPYLENE GLYCOL.
    • 0.54 mg/mL
    • Solubility in water, mg/l at 20 °C: 0.30 (very poor)
    • soluble in most fixed oils, propylene glycol; insoluble in glycerin
    • 1 ml in 5 ml 50% alcohol (in ethanol)

  • Synonyms

    • 1-octanol
    • Octan-1-ol
    • octanol
    • 111-87-5
    • N-octanol
    • Octyl alcohol
    • Capryl alcohol
    • caprylic alcohol
    • n-Octyl alcohol
    • Heptyl carbinol
    • 1-Hydroxyoctane
    • Alcohol C-8
    • Primary octyl alcohol
    • n-Octan-1-ol
    • Octilin
    • n-Caprylic alcohol
    • Alfol 8
    • Sipol L8
    • Lorol 20
    • Dytol M-83
    • 1-Octyl alcohol
    • C8 alcohol
    • n-Heptyl carbinol
    • Octyl alcohol, normal-primary
    • EPAL 8
    • octyl-alcohol
    • Octyl alcohol, primary
    • N-octyl-alcohol
    • Caswell No. 611A
    • n-Capryl alcohol
    • Octyl alcohol (natural)
    • FEMA Number 2800
    • Alcohol C8
    • Lorol C 8-98
    • NSC 9823
    • FEMA No. 2800
    • CCRIS 9099
    • HSDB 700
    • caprylyl alcohol
    • 2-Capryl alcohol
    • 1-n-octanol
    • 1-Oktanol
    • EINECS 203-917-6
    • MFCD00002988
    • Lorol C8
    • EPA Pesticide Chemical Code 079037
    • Octanol-(1)
    • Prim-n-octyl alcohol
    • DTXSID7021940
    • UNII-NV1779205D
    • CHEBI:16188
    • AI3-02169
    • ALFOL 8 ALCOHOL
    • 2-Octanol ~99%
    • Emery 3322
    • Emery 3324
    • NSC-9823
    • 1-OCTANOL [FHFI]
    • 1-OCTANOL [HSDB]
    • 1-OCTANOL [MI]
    • Octan-2-ol 98+ %
    • Octyl alcohol normal-primary
    • OCTYL ALCOHOL [FCC]
    • KALCOHL-0898
    • NACOL 8-99 ALCOHOL
    • DTXCID101940
    • N-OCTYL ALCOHOL, PRIMARY
    • EC 203-917-6
    • 1-OCTANOL-1,1-D2
    • CO-898
    • NV1779205D
    • 220713-26-8
    • CAS-111-87-5
    • Octyl alcohol (n)
    • Octanol (all isomers)
    • octylalcohol
    • Oktylalkohol
    • nOctanol
    • Oktanol
    • 1Hydroxyoctane
    • nOctyl alcohol
    • nOctan1ol
    • nCaprylic alcohol
    • HEPTYLCARBINOL
    • Dytol M83
    • 1-Octanol (Standard)
    • bmse000970
    • bmse000980
    • SCHEMBL8822
    • Octyl alcohol, normalprimary
    • WLN: Q8
    • MLS001055318
    • CHEMBL26215
    • 1-Octanol, analytical standard
    • GTPL4278
    • CAPRYLYL ALCOHOL [INCI]
    • BDBM22606
    • CHEBI:37868
    • 1-Octanol, anhydrous, >=99%
    • NSC9823
    • HMS3039O07
    • 1-Octanol, for HPLC, >=99%
    • AAA11187
    • HY-W032013R
    • 1-Octanol, ACS reagent, >=99%
    • 1-Octanol, ReagentPlus(R), 99%
    • Tox21_201373
    • Tox21_300096
    • c0045
    • LMFA05000130
    • STL264193
    • 1-Octanol, >=98%, FCC, FG
    • 1-Octanol, natural, >=98%, FCC
    • AKOS000120100
    • DB12452
    • HY-W032013
    • USEPA/OPP Pesticide Code: 079037
    • NCGC00091003-01
    • NCGC00091003-02
    • NCGC00091003-03
    • NCGC00091003-04
    • NCGC00091003-05
    • NCGC00254099-01
    • NCGC00258924-01
    • BP-21329
    • DA-59946
    • LS-13539
    • SMR000673567

  • Applications

    1-Octanol (CAS 111-87-5) is a straight-chain eight-carbon fatty alcohol that finds broad industrial use as a neutral solvent for resins and varnishes, a coconut- or orange-like flavoring agent in food, a plasticizer and textile auxiliary in synthetic fiber production, a viscosity-modifying lubricant in metal-working fluids, a key precursor for fragrance esters in perfumes, a non-ionic surfactant component in cosmetics and cleansers, a PVC flexibilizer, and a pharmaceutical excipient that enhances dermal penetration; it is also employed in chemical analysis as a reference phase and in biological laboratories as a probe for lipid adsorption studies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27270.28
    methanol 21381.7
    isopropanol 29485.14
    water 0.35
    ethyl acetate 11257.43
    n-propanol 25283.3
    acetone 21715.42
    n-butanol 24036.11
    acetonitrile 8630.03
    DMF 8593.37
    toluene 2128.53
    isobutanol 16989.92
    1,4-dioxane 11757.89
    methyl acetate 6364.82
    THF 21747.66
    2-butanone 12168.82
    n-pentanol 10986.0
    sec-butanol 17820.93
    n-hexane 6588.35
    ethylene glycol 1582.14
    NMP 3875.64
    cyclohexane 5639.97
    DMSO 15030.02
    n-butyl acetate 11662.5
    n-octanol 2913.23
    chloroform 10148.81
    n-propyl acetate 7578.3
    acetic acid 7110.31
    dichloromethane 9406.11
    cyclohexanone 13537.81
    propylene glycol 3327.77
    isopropyl acetate 6122.1
    DMAc 2788.19
    2-ethoxyethanol 7255.3
    isopentanol 15678.34
    n-heptane 4253.41
    ethyl formate 5364.38
    1,2-dichloroethane 7724.56
    n-hexanol 13053.7
    2-methoxyethanol 14295.58
    isobutyl acetate 3412.78
    tetrachloromethane 2908.5
    n-pentyl acetate 3977.54
    transcutol 12827.01
    n-heptanol 3805.54
    ethylbenzene 1163.82
    MIBK 5269.38
    2-propoxyethanol 10596.65
    tert-butanol 25237.69
    MTBE 13530.37
    2-butoxyethanol 4798.76
    propionic acid 7590.06
    o-xylene 971.41
    formic acid 1135.52
    diethyl ether 17800.39
    m-xylene 1347.06
    p-xylene 1421.7
    chlorobenzene 2473.78
    dimethyl carbonate 810.19
    n-octane 884.95
    formamide 1920.85
    cyclopentanone 12079.73
    2-pentanone 13466.96
    anisole 1833.93
    cyclopentyl methyl ether 10721.57
    gamma-butyrolactone 9432.67
    1-methoxy-2-propanol 11114.05
    pyridine 7448.93
    3-pentanone 5779.11
    furfural 4402.73
    n-dodecane 282.8
    diethylene glycol 3920.91
    diisopropyl ether 4236.57
    tert-amyl alcohol 13033.28
    acetylacetone 5544.38
    n-hexadecane 325.11
    acetophenone 1363.47
    methyl propionate 5726.79
    isopentyl acetate 7140.07
    trichloroethylene 9082.87
    n-nonanol 2222.36
    cyclohexanol 13289.83
    benzyl alcohol 1741.14
    2-ethylhexanol 6678.78
    isooctanol 2858.55
    dipropyl ether 13445.64
    1,2-dichlorobenzene 1642.31
    ethyl lactate 1428.15
    propylene carbonate 3963.02
    n-methylformamide 6226.39
    2-pentanol 15341.18
    n-pentane 4832.8
    1-propoxy-2-propanol 10114.66
    1-methoxy-2-propyl acetate 4347.32
    2-(2-methoxypropoxy) propanol 1450.78
    mesitylene 827.54
    ε-caprolactone 8395.93
    p-cymene 1060.73
    epichlorohydrin 9427.96
    1,1,1-trichloroethane 7066.83
    2-aminoethanol 5734.84
    morpholine-4-carbaldehyde 4413.24
    sulfolane 7466.52
    2,2,4-trimethylpentane 949.73
    2-methyltetrahydrofuran 17488.83
    n-hexyl acetate 4059.11
    isooctane 942.16
    2-(2-butoxyethoxy)ethanol 3221.14
    sec-butyl acetate 3778.54
    tert-butyl acetate 5113.05
    decalin 1034.51
    glycerin 2485.97
    diglyme 6503.08
    acrylic acid 3404.36
    isopropyl myristate 1077.94
    n-butyric acid 16844.22
    acetyl acetate 2565.41
    di(2-ethylhexyl) phthalate 600.92
    ethyl propionate 4770.99
    nitromethane 8102.88
    1,2-diethoxyethane 8297.96
    benzonitrile 2564.13
    trioctyl phosphate 663.93
    1-bromopropane 9009.22
    gamma-valerolactone 10681.72
    n-decanol 1425.89
    triethyl phosphate 981.9
    4-methyl-2-pentanol 5145.33
    propionitrile 10300.36
    vinylene carbonate 2719.89
    1,1,2-trichlorotrifluoroethane 4517.44
    DMS 1159.71
    cumene 707.43
    2-octanol 2450.22
    2-hexanone 8230.91
    octyl acetate 1303.57
    limonene 2628.53
    1,2-dimethoxyethane 12003.42
    ethyl orthosilicate 1245.81
    tributyl phosphate 875.27
    diacetone alcohol 5040.84
    N,N-dimethylaniline 964.17
    acrylonitrile 7269.41
    aniline 3279.92
    1,3-propanediol 9776.34
    bromobenzene 2425.35
    dibromomethane 8448.38
    1,1,2,2-tetrachloroethane 7652.98
    2-methyl-cyclohexyl acetate 2256.12
    tetrabutyl urea 1035.74
    diisobutyl methanol 3248.81
    2-phenylethanol 2285.87
    styrene 1589.64
    dioctyl adipate 1201.8
    dimethyl sulfate 963.16
    ethyl butyrate 6641.29
    methyl lactate 1540.85
    butyl lactate 2290.03
    diethyl carbonate 2178.01
    propanediol butyl ether 2913.23
    triethyl orthoformate 3232.45
    p-tert-butyltoluene 998.75
    methyl 4-tert-butylbenzoate 1017.37
    morpholine 17462.2
    tert-butylamine 18999.83
    n-dodecanol 994.4
    dimethoxymethane 6293.59
    ethylene carbonate 3261.67
    cyrene 942.01
    2-ethoxyethyl acetate 3049.45
    2-ethylhexyl acetate 5163.94
    1,2,4-trichlorobenzene 1548.3
    4-methylpyridine 6323.24
    dibutyl ether 7280.36
    2,6-dimethyl-4-heptanol 3248.81
    DEF 8279.82
    dimethyl isosorbide 2153.45
    tetrachloroethylene 6312.14
    eugenol 1011.99
    triacetin 1480.81
    span 80 2011.59
    1,4-butanediol 2642.18
    1,1-dichloroethane 10316.17
    2-methyl-1-pentanol 6458.61
    methyl formate 2998.06
    2-methyl-1-butanol 12785.74
    n-decane 693.75
    butyronitrile 14488.65
    3,7-dimethyl-1-octanol 2801.03
    1-chlorooctane 2030.52
    1-chlorotetradecane 523.18
    n-nonane 894.28
    undecane 414.18
    tert-butylcyclohexane 1072.59
    cyclooctane 1353.06
    cyclopentanol 13549.94
    tetrahydropyran 23875.47
    tert-amyl methyl ether 6733.56
    2,5,8-trioxanonane 2597.06
    1-hexene 12929.81
    2-isopropoxyethanol 4616.4
    2,2,2-trifluoroethanol 1078.39
    methyl butyrate 7574.89

    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
Basil (Nigeria) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.11%
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Calabria) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Calabria) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Calabria) 5 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Lemon (Spain) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.21%
Cardamom (Reunion) 8000-66-6 Elettaria cardamomum (L.) Maton, var. alpha-minor, fam. Zingiberaceae 0.7%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.02%
Clementine (Italy) 1 Citrus clementina Hort. ex Tan., (C. deliciosa Ten. var. Clementina) 0.01%
Grapefruit (Israel) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.04%
Grapefruit (Israel) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.02%
Grapefruit (USA) 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.09%
Lemon (Italy-Sicily) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.03%
Lime (Mexican, West Indian, Key) 1 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.1%
Lime (Mexican, West Indian, Key) 2 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.12%
Lime (Persian) 1 90063-52-8 Citrus latifolia Tanaka, fam. Rutaceae 0.03%
Lemon (Israel) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Mandarin (Italy) 1 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Olibanum, Frankincense (Eritrea) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 8.0%
Orange, sweet (USA-Florida) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Midseason, fam. Rutaceae 0.03%
Orange, sweet (USA-Florida) 4 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Orange, sweet (Israel) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.07%
Orange, sweet (Israel) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Shamouti, fam. Rutaceae 0.02%
Orange, sweet (Italy) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.16%
Orange, sweet (Spain) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.16%
Orange, sweet (USA-California) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.04%
Orange, sweet (USA-Florida) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.04%
Orange, sweet (USA-Florida) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Brazil, fam. Rutaceae 0.04%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.07%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (Turkey) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Spike lavender (Spain) 2 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.1%
Lime (Mexican, West Indian, Key) (Brazil) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.07%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Mapo tangelo Citrus ssp. Mapo tangelo, fam. Rutaceae 0.1%
Mandarin (Italy) 3 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Grapefruit (Italy) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Lemon (USA) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 5 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange, sweet (USA-Florida) 6 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Lemon (USA-California) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 8 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Alpinia katsumadai seed (Vietnam) Alpinia katsumadai Hayata L., fam. Zingiberaceae 2.0%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Tordylium apulum fruit (Turkey) Tordylium apulum L., fam. Apiaceae (Umbelliferae) 16.5%
Tordylium pustulosum fruit (Turkey) Tordylium pustulosum Boiss., fam. Apiaceae (Umbelliferae) 10.4%
Salvia aucheri (Turkey) 1a var. aucheri Salvia aucheri Benth. var. aucheri, fam. Lamiaceae (Labiatae) 0.1%
Salvia aucheri (Turkey) 1b var. canenscens Salvia aucheri Benth. var. canenscens, fam. Lamiaceae (Labiatae) 0.05%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.25%
Argyranthemum adauctum ssp. erythrocarpon Argyranthemum adauctum ssp. erythrocarpon Humphries, fam. Asteraceae 0.01%
Teucrium salviastrum (Portugal) Teucrium salviastrum Schreber, fam. Lamiaceae (Lagiatae) 0.05%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%
Lime (Mexican, West Indian, Key) (China) leaf 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Bitter orange leaf (Petitgrain) (China) 2 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam Rutaceae 0.03%
Swangi (Citrus hystrix) leaf (China) Citrus hystrix Dc (Swangi), fam. Rutaceae 0.06%
Birch, Sweet (USA - Pennsylvania) Betula lenta L., fam. Betulaceae 0.002%