Docosanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    661-19-8

    Molecular formula
    C22H46O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCO

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Waxy 78.71%
    Fatty 56.08%
    Oily 48.59%
    Odorless 30.29%
    Clean 23.37%
    Sweet 21.03%
    Orris 19.47%
    Fishy 17.79%
    Balsamic 17.77%
    Creamy 17.67%

    Scent© AI

  • Properties

    XLogP3-AA
    10.5

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 65-72 °C
    • 72.5 °C
    • 65 - 72 °C

    Boiling point

    • 180 °C at 0.22 mm Hg

    Flash point est.
    197.13 ˚C

    Flash point expt.

    • 195 °C

    Solubility expt.

    • Slightly soluble in ether; very soluble in ethanol, methanol, petroleum ether; soluble in chloroform
    • Insoluble in water
    • 1.96e-05 g/L

  • Synonyms

    • 1-DOCOSANOL
    • Docosanol
    • docosan-1-ol
    • Behenyl alcohol
    • 661-19-8
    • Behenic alcohol
    • Abreva
    • n-Docosanol
    • Docosyl alcohol
    • Lidavol
    • Tadenan
    • Stenol 1822
    • Lidakol
    • Lanette 22
    • Stenol 1822A
    • Docosanol [USAN]
    • Nacol 22-97
    • IK 2
    • 30303-65-2
    • NAA 422
    • IK.2
    • NSC 8407
    • HSDB 5739
    • NSC-8407
    • EINECS 211-546-6
    • UNII-9G1OE216XY
    • Docosanol (Abreva)
    • Docosanol (USAN)
    • BRN 1770470
    • 9G1OE216XY
    • CCRIS 8943
    • DTXSID4027286
    • CHEBI:31000
    • AI3-36489
    • MFCD00002939
    • DTXCID907286
    • NSC8407
    • EC 211-546-6
    • 4-01-00-01906 (Beilstein Handbook Reference)
    • NCGC00159370-02
    • DOCOSANOL (II)
    • DOCOSANOL [II]
    • DOCOSANOL (MART.)
    • DOCOSANOL [MART.]
    • Docosanol (VAN)
    • C22H46O
    • Erazaban
    • Herepair
    • Healip
    • Cachalot BE-22
    • Abreva (TN)
    • Loxiol VPG 1451
    • n-Docosan-1-ol
    • Docosanol-(1)
    • 1-Docosanol, 98%
    • Cold Sore Fever Blister
    • DOCOSANOL [HSDB]
    • DOCOSANOL [VANDF]
    • N-DOCOSANOL [MI]
    • DOCOSANOL [WHO-DD]
    • SCHEMBL51925
    • DOCOSANOL [ORANGE BOOK]
    • CHEMBL1200453
    • Cold Sore Fever Blister Treatment
    • HMS2093P22
    • Pharmakon1600-01505729
    • HY-B0222
    • Tox21_111611
    • LMFA05000008
    • NSC759235
    • s1637
    • AKOS015902887
    • CCG-213539
    • DB00632
    • NSC-759235
    • Behenyl alcohol, AI3-36489, Behenic alcohol, 1-Docosanol, Docosyl alcohol, IK-2, Tadenan
    • NCGC00159370-03
    • NCGC00159370-04
    • NCGC00159370-05
    • 1-Docosanol, purum, >=97.0% (GC)
    • AC-19852
    • CAS-661-19-8
    • DA-69546
    • FD137295
    • SBI-0206938.P001
    • D0964
    • NS00009524
    • D03884
    • D70615
    • AB01563123_01
    • AB01563123_02
    • EN300-6495479
    • SR-05000001915
    • Q3033497
    • SR-05000001915-1
    • BRD-K50050533-001-02-1
    • BRD-K50050533-001-03-9
    • BRD-K50050533-001-04-7
    • A3D72D45-625E-49B5-B0FC-394010B3485D
    • 211-546-6
    • InChI=1/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.37
    methanol 6.69
    isopropanol 13.89
    water 0.01
    ethyl acetate 106.03
    n-propanol 16.35
    acetone 46.32
    n-butanol 26.73
    acetonitrile 12.4
    DMF 66.99
    toluene 33.97
    isobutanol 21.45
    1,4-dioxane 119.71
    methyl acetate 49.19
    THF 430.04
    2-butanone 72.92
    n-pentanol 21.95
    sec-butanol 25.36
    n-hexane 27.5
    ethylene glycol 0.77
    NMP 263.07
    cyclohexane 159.44
    DMSO 129.28
    n-butyl acetate 219.24
    n-octanol 51.62
    chloroform 294.03
    n-propyl acetate 169.75
    acetic acid 22.04
    dichloromethane 270.73
    cyclohexanone 333.75
    propylene glycol 3.2
    isopropyl acetate 140.62
    DMAc 156.15
    2-ethoxyethanol 48.28
    isopentanol 45.3
    n-heptane 73.92
    ethyl formate 38.17
    1,2-dichloroethane 192.69
    n-hexanol 32.54
    2-methoxyethanol 44.77
    isobutyl acetate 136.78
    tetrachloromethane 111.16
    n-pentyl acetate 313.83
    transcutol 429.8
    n-heptanol 49.14
    ethylbenzene 40.38
    MIBK 142.79
    2-propoxyethanol 69.98
    tert-butanol 49.3
    MTBE 109.05
    2-butoxyethanol 117.52
    propionic acid 27.78
    o-xylene 46.39
    formic acid 2.8
    diethyl ether 75.9
    m-xylene 38.38
    p-xylene 60.7
    chlorobenzene 72.84
    dimethyl carbonate 24.07
    n-octane 26.28
    formamide 6.41
    cyclopentanone 316.66
    2-pentanone 107.61
    anisole 84.73
    cyclopentyl methyl ether 259.02
    gamma-butyrolactone 274.2
    1-methoxy-2-propanol 64.24
    pyridine 97.86
    3-pentanone 94.84
    furfural 168.21
    n-dodecane 10.24
    diethylene glycol 19.64
    diisopropyl ether 71.97
    tert-amyl alcohol 62.4
    acetylacetone 142.96
    n-hexadecane 13.0
    acetophenone 117.58
    methyl propionate 69.16
    isopentyl acetate 244.41
    trichloroethylene 309.86
    n-nonanol 57.98
    cyclohexanol 90.2
    benzyl alcohol 35.44
    2-ethylhexanol 68.53
    isooctanol 68.05
    dipropyl ether 255.55
    1,2-dichlorobenzene 117.46
    ethyl lactate 57.92
    propylene carbonate 179.8
    n-methylformamide 17.55
    2-pentanol 32.09
    n-pentane 17.78
    1-propoxy-2-propanol 128.68
    1-methoxy-2-propyl acetate 194.3
    2-(2-methoxypropoxy) propanol 116.37
    mesitylene 44.85
    ε-caprolactone 292.24
    p-cymene 71.22
    epichlorohydrin 269.87
    1,1,1-trichloroethane 278.42
    2-aminoethanol 4.12
    morpholine-4-carbaldehyde 177.46
    sulfolane 572.07
    2,2,4-trimethylpentane 24.81
    2-methyltetrahydrofuran 290.52
    n-hexyl acetate 238.54
    isooctane 17.0
    2-(2-butoxyethoxy)ethanol 150.86
    sec-butyl acetate 161.52
    tert-butyl acetate 262.57
    decalin 47.67
    glycerin 7.23
    diglyme 419.2
    acrylic acid 16.16
    isopropyl myristate 103.6
    n-butyric acid 92.32
    acetyl acetate 78.0
    di(2-ethylhexyl) phthalate 57.85
    ethyl propionate 149.71
    nitromethane 53.12
    1,2-diethoxyethane 262.35
    benzonitrile 51.83
    trioctyl phosphate 52.85
    1-bromopropane 134.74
    gamma-valerolactone 359.98
    n-decanol 36.66
    triethyl phosphate 157.18
    4-methyl-2-pentanol 36.59
    propionitrile 22.76
    vinylene carbonate 107.56
    1,1,2-trichlorotrifluoroethane 179.08
    DMS 92.25
    cumene 40.27
    2-octanol 53.57
    2-hexanone 132.87
    octyl acetate 105.78
    limonene 144.53
    1,2-dimethoxyethane 203.64
    ethyl orthosilicate 169.71
    tributyl phosphate 75.08
    diacetone alcohol 174.19
    N,N-dimethylaniline 77.46
    acrylonitrile 18.88
    aniline 34.58
    1,3-propanediol 12.75
    bromobenzene 97.33
    dibromomethane 193.59
    1,1,2,2-tetrachloroethane 375.92
    2-methyl-cyclohexyl acetate 227.58
    tetrabutyl urea 116.86
    diisobutyl methanol 87.87
    2-phenylethanol 44.81
    styrene 41.6
    dioctyl adipate 155.71
    dimethyl sulfate 73.69
    ethyl butyrate 293.19
    methyl lactate 31.93
    butyl lactate 147.63
    diethyl carbonate 141.28
    propanediol butyl ether 69.03
    triethyl orthoformate 280.71
    p-tert-butyltoluene 69.41
    methyl 4-tert-butylbenzoate 191.62
    morpholine 162.61
    tert-butylamine 43.2
    n-dodecanol 26.45
    dimethoxymethane 70.73
    ethylene carbonate 113.75
    cyrene 121.11
    2-ethoxyethyl acetate 240.0
    2-ethylhexyl acetate 224.07
    1,2,4-trichlorobenzene 141.24
    4-methylpyridine 93.38
    dibutyl ether 236.47
    2,6-dimethyl-4-heptanol 87.87
    DEF 155.18
    dimethyl isosorbide 325.26
    tetrachloroethylene 233.02
    eugenol 117.69
    triacetin 232.93
    span 80 116.08
    1,4-butanediol 5.5
    1,1-dichloroethane 145.08
    2-methyl-1-pentanol 36.65
    methyl formate 14.67
    2-methyl-1-butanol 37.26
    n-decane 27.92
    butyronitrile 37.86
    3,7-dimethyl-1-octanol 76.69
    1-chlorooctane 97.57
    1-chlorotetradecane 28.82
    n-nonane 29.13
    undecane 15.28
    tert-butylcyclohexane 36.93
    cyclooctane 49.01
    cyclopentanol 79.74
    tetrahydropyran 251.93
    tert-amyl methyl ether 123.04
    2,5,8-trioxanonane 230.28
    1-hexene 43.29
    2-isopropoxyethanol 56.62
    2,2,2-trifluoroethanol 13.95
    methyl butyrate 203.45

    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
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.38%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 2.41%