2-Octanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    123-96-6

    Molecular formula
    C8H18O

    SMILES
    CCCCCCC(C)O

    Safety labels

    Flammable
    Flammable

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1002.33
    • Carbowax: 1388.33

  • Odor profile

    Green 85.83%
    Fatty 74.67%
    Oily 72.37%
    Floral 68.47%
    Fruity 68.44%
    Herbal 67.78%
    Earthy 63.87%
    Waxy 61.27%
    Citrus 60.1%
    Fresh 59.65%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.009 [mmHg]

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -31.6 °C
    • Soluble in alcohol, ether, acetone; max absorption (vapor): 196 nm; max absorption (hexane): 175 nm (log e = 2.5); mp: -31.6 °C /dl-Form/
    • -38.6 °C

    Boiling point

    • 179 °C
    • BP: 86 °C at 20 mm Hg; specific optical rotation: -9.9 deg at 17 °C/D /L-form/
    • 179.00 to 181.00 °C. @ 760.00 mm Hg
    • 178.5 °C

    Flash point est.
    70.73 ˚C

    Flash point expt.

    • 76 °C

    Solubility expt.

    • In water, 1120 mg/L at 25 C
    • Soluble in ethanol, ethyl ether, acetic acetone
    • MISCIBLE WITH AROMATIC AND ALIPHATIC HYDROCARBONS
    • SOL IN MOST COMMON ORGANIC SOLVENTS
    • 1.2 mg/mL at 25 °C
    • Solubility in water, ml/100ml: 0.096 (none)
    • soluble in most common organic solvents

  • Synonyms

    • 2-OCTANOL
    • Octan-2-ol
    • 123-96-6
    • 4128-31-8
    • 2-Octyl alcohol
    • Hexylmethylcarbinol
    • 2-Hydroxyoctane
    • 1-Methylheptanol
    • sec-Caprylic alcohol
    • Methylhexylcarbinol
    • 1-Methylheptyl alcohol
    • DL-2-Octanol
    • n-Octan-2-ol
    • s-Octyl alcohol
    • 1-Methyl-1-heptanol
    • sec-Octanol
    • Hexyl methyl carbinol
    • (+/-)-2-Octanol
    • 2-Hydroxy-n-octane
    • sec-OCTYL ALCOHOL
    • beta-Octyl alcohol
    • secondary Caprylic alcohol
    • Methyl hexyl carbinol
    • .beta.-Octyl alcohol
    • FEMA No. 2801
    • OCTANOL-2
    • MFCD00004591
    • NSC 14759
    • (rs)-2-octanol
    • L(-)-2-Octanol
    • 2-Octanol, (2R)-
    • D(+)-2-Octanol
    • DTXSID0027014
    • 2-Octanol, (.+/-.)-
    • CHEBI:37869
    • 66B0DD5E40
    • NSC-14759
    • Heptanol, methyl-
    • 25339-16-6
    • DTXCID607014
    • 2-Octanol (natural)
    • Secondary octyl alcohol
    • FEMA Number 2801
    • Caprylic alcohol, secondary
    • r-(-)-2-octanol
    • CAS-123-96-6
    • HSDB 5601
    • (1)-Octan-2-ol
    • 2-Octanol (+-)
    • 4128-32-9
    • EINECS 204-667-0
    • EINECS 223-938-4
    • UNII-66B0DD5E40
    • AI3-05598
    • Ethylpentylcarbinol
    • (racemic)-2-octanol
    • (+)-2 octanol
    • 2-Octanol, 97%
    • 2-OCTANOL [FHFI]
    • 2-OCTANOL [HSDB]
    • 2-OCTANOL [MI]
    • 2-Octanol, >=97%
    • EC 204-667-0
    • DL-METHYLHEXYLCARBINOL
    • SCHEMBL23502
    • 2-Octanol, (+/-)-
    • 2-Octanol, (A+/-)-
    • CHEMBL510068
    • 2-Octanol, for synthesis, 99%
    • L-Octan-2-ol; (R)-2-Octanol
    • NSC14759
    • Tox21_201625
    • Tox21_303347
    • 2-Octanol, natural, >=97%, FG
    • BBL100094
    • LMFA05000620
    • STL280339
    • AKOS009031442
    • CS-W011107
    • SB44843
    • (+/-)-2-Octanol, analytical standard
    • NCGC00249087-01
    • NCGC00257394-01
    • NCGC00259174-01
    • (S)-2-Octanol;?(S)-(+)-2-Octanol
    • BS-14738
    • SY038272
    • 2-Octanol, Vetec(TM) reagent grade, 97%
    • DB-053462
    • DB-053968
    • NS00004326
    • O0037
    • EN300-19344
    • (+/-)-2-Octanol, >=96.0% (GC)
    • D71187
    • Q10844270
    • (+/-)-2-Octanol, ReagentPlus(R), >=99.5% (GC)

  • Applications

    2-Octanol (CAS 123-96-6) is a straight-chain secondary eight-carbon alcohol employed broadly in fragrance and cosmetic industries to impart warm fruity-floral notes, in food and tobacco flavor formulation, as a mid-boiling solvent and intermediate for ester plasticizers, emollients, synthetic lubricant and metal-working fluids, as surfactant and frother in mineral flotation, dispersant for agrochemical emulsions, antifoam additive in paper and paint, drilling-fluid component in oil and gas, rheology modifier in cement, precursor for octylamine, octyl ether and octyl sulfonate used in pharmaceuticals and detergents; thanks to its high boiling point and low toxicity it also serves as aroma carrier, gas-drying agent and versatile building block for vanilla flavors, disinfectants and other specialty organic compounds.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16711.44
    methanol 16101.8
    isopropanol 16575.17
    water 1.26
    ethyl acetate 5766.18
    n-propanol 14908.24
    acetone 11465.93
    n-butanol 15197.77
    acetonitrile 4709.3
    DMF 5092.94
    toluene 1498.79
    isobutanol 10488.78
    1,4-dioxane 7445.29
    methyl acetate 3667.75
    THF 14157.32
    2-butanone 7098.71
    n-pentanol 7800.61
    sec-butanol 11372.91
    n-hexane 5661.46
    ethylene glycol 1503.94
    NMP 2902.81
    cyclohexane 3554.87
    DMSO 7213.48
    n-butyl acetate 6889.11
    n-octanol 2489.82
    chloroform 6599.67
    n-propyl acetate 4225.99
    acetic acid 4656.28
    dichloromethane 4828.52
    cyclohexanone 8221.69
    propylene glycol 3007.05
    isopropyl acetate 3785.84
    DMAc 2177.19
    2-ethoxyethanol 5026.44
    isopentanol 10153.64
    n-heptane 2869.21
    ethyl formate 2977.11
    1,2-dichloroethane 3927.01
    n-hexanol 10445.66
    2-methoxyethanol 9557.51
    isobutyl acetate 2272.3
    tetrachloromethane 2018.89
    n-pentyl acetate 2465.16
    transcutol 8799.42
    n-heptanol 2943.7
    ethylbenzene 877.7
    MIBK 3335.69
    2-propoxyethanol 8662.66
    tert-butanol 15801.44
    MTBE 9870.5
    2-butoxyethanol 3376.97
    propionic acid 4920.91
    o-xylene 784.31
    formic acid 1108.79
    diethyl ether 10297.51
    m-xylene 998.97
    p-xylene 1086.43
    chlorobenzene 1596.24
    dimethyl carbonate 536.72
    n-octane 617.26
    formamide 1303.42
    cyclopentanone 7359.57
    2-pentanone 7230.64
    anisole 1382.35
    cyclopentyl methyl ether 7038.33
    gamma-butyrolactone 5438.77
    1-methoxy-2-propanol 7311.54
    pyridine 4374.27
    3-pentanone 3470.77
    furfural 2934.14
    n-dodecane 242.52
    diethylene glycol 3465.61
    diisopropyl ether 2826.52
    tert-amyl alcohol 9355.4
    acetylacetone 3168.95
    n-hexadecane 274.14
    acetophenone 960.65
    methyl propionate 3065.82
    isopentyl acetate 4711.81
    trichloroethylene 4997.99
    n-nonanol 1910.98
    cyclohexanol 8423.5
    benzyl alcohol 1322.3
    2-ethylhexanol 5390.52
    isooctanol 2179.72
    dipropyl ether 7910.39
    1,2-dichlorobenzene 1099.45
    ethyl lactate 1032.05
    propylene carbonate 2514.9
    n-methylformamide 3540.65
    2-pentanol 9130.93
    n-pentane 3412.9
    1-propoxy-2-propanol 7047.18
    1-methoxy-2-propyl acetate 2962.59
    2-(2-methoxypropoxy) propanol 1394.4
    mesitylene 666.49
    ε-caprolactone 5405.04
    p-cymene 768.73
    epichlorohydrin 5252.55
    1,1,1-trichloroethane 4090.39
    2-aminoethanol 4538.21
    morpholine-4-carbaldehyde 3178.96
    sulfolane 4442.7
    2,2,4-trimethylpentane 849.31
    2-methyltetrahydrofuran 11518.73
    n-hexyl acetate 3073.47
    isooctane 757.14
    2-(2-butoxyethoxy)ethanol 2679.03
    sec-butyl acetate 2361.79
    tert-butyl acetate 3478.23
    decalin 863.47
    glycerin 2435.4
    diglyme 4476.06
    acrylic acid 2517.62
    isopropyl myristate 842.9
    n-butyric acid 9701.16
    acetyl acetate 1653.6
    di(2-ethylhexyl) phthalate 549.7
    ethyl propionate 2755.39
    nitromethane 4211.1
    1,2-diethoxyethane 5028.35
    benzonitrile 1750.61
    trioctyl phosphate 581.62
    1-bromopropane 4981.38
    gamma-valerolactone 6483.78
    n-decanol 1273.81
    triethyl phosphate 720.53
    4-methyl-2-pentanol 3675.19
    propionitrile 5883.5
    vinylene carbonate 1752.68
    1,1,2-trichlorotrifluoroethane 3120.83
    DMS 874.45
    cumene 572.59
    2-octanol 1924.68
    2-hexanone 5321.92
    octyl acetate 1033.47
    limonene 1971.22
    1,2-dimethoxyethane 7868.39
    ethyl orthosilicate 925.13
    tributyl phosphate 756.64
    diacetone alcohol 3426.73
    N,N-dimethylaniline 768.44
    acrylonitrile 3986.01
    aniline 2460.06
    1,3-propanediol 6820.13
    bromobenzene 1517.61
    dibromomethane 4610.17
    1,1,2,2-tetrachloroethane 4502.4
    2-methyl-cyclohexyl acetate 1658.69
    tetrabutyl urea 858.85
    diisobutyl methanol 2208.65
    2-phenylethanol 1878.99
    styrene 1143.08
    dioctyl adipate 946.91
    dimethyl sulfate 640.78
    ethyl butyrate 3714.73
    methyl lactate 1113.91
    butyl lactate 1639.18
    diethyl carbonate 1361.96
    propanediol butyl ether 2524.86
    triethyl orthoformate 2122.47
    p-tert-butyltoluene 770.02
    methyl 4-tert-butylbenzoate 837.33
    morpholine 10892.66
    tert-butylamine 11971.08
    n-dodecanol 902.49
    dimethoxymethane 3693.47
    ethylene carbonate 2093.25
    cyrene 878.72
    2-ethoxyethyl acetate 1959.13
    2-ethylhexyl acetate 3542.28
    1,2,4-trichlorobenzene 1132.92
    4-methylpyridine 4099.17
    dibutyl ether 4505.13
    2,6-dimethyl-4-heptanol 2208.65
    DEF 4922.71
    dimethyl isosorbide 1727.41
    tetrachloroethylene 3719.4
    eugenol 851.57
    triacetin 1213.37
    span 80 1806.59
    1,4-butanediol 2187.12
    1,1-dichloroethane 5495.49
    2-methyl-1-pentanol 5071.56
    methyl formate 1829.03
    2-methyl-1-butanol 8539.54
    n-decane 557.96
    butyronitrile 8180.94
    3,7-dimethyl-1-octanol 2431.53
    1-chlorooctane 1555.09
    1-chlorotetradecane 435.01
    n-nonane 682.8
    undecane 347.96
    tert-butylcyclohexane 923.73
    cyclooctane 927.76
    cyclopentanol 8322.39
    tetrahydropyran 14080.21
    tert-amyl methyl ether 5148.48
    2,5,8-trioxanonane 2025.19
    1-hexene 9830.41
    2-isopropoxyethanol 3411.69
    2,2,2-trifluoroethanol 826.2
    methyl butyrate 4259.65

    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
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.02%
Curcuma aromatica (India) 2b rhizome Curcuma aromatica Salisb., fam. Zingiberaceae 0.05%
Turmeric 3 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.2%
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 0.08%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.08%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 0.5%
Micromeria graeca (Greece) Micromeria graeca (L.) Bentham et Reichenb., fam. Lamiaceae (Labiatae) 1.0%