Behenic Acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    112-85-6

    Molecular formula
    C22H44O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)O

  • Odor profile

    Waxy 82.74%
    Fatty 70.48%
    Oily 41.6%
    Odorless 31.63%
    Creamy 23.28%
    Dairy 19.57%
    Savory 19.11%
    Meaty 18.84%
    Fishy 18.07%
    Sweet 16.98%

    Scent© AI

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    7.68 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 79.95 °C
    • 81 °C

    Boiling point

    • 306 °C at 60 mm Hg

    Flash point est.
    213.12 ˚C

    Solubility expt.

    • 0.102 g are sol in 100 g of 90% ethanol at 17 °C;0.218 g are sol in 100 ml of 91.5% ethanol at 25 °C; 0.116 g are sol in 100 ml of 86.2% ethanol at 25 °C; 0.011 g are sol in 100 ml of 63.07% ethanol at 25 °C; 0.1922 g are sol in 100 g of ether at 16 °C
    • Slightly soluble in water, ethanol, ethyl ether
    • In water, 160 mg/L, temp not specified
    • 1.6e-05 mg/mL

  • Synonyms

    • Docosanoic acid
    • Behenic acid
    • 112-85-6
    • 1-Docosanoic acid
    • N-DOCOSANOIC ACID
    • Hydrofol Acid 560
    • Hydrofol 2022-55
    • Glycon B-70
    • Docosoic acid
    • Hystrene 5522
    • Hystrene 9022
    • Glycon B 70
    • Prifrac 2989
    • Behensaeure
    • Docosansaeure
    • Dokosansaeure
    • Docosanic acid
    • CHEBI:28941
    • HSDB 5578
    • Edenor C 22-85R
    • EINECS 204-010-8
    • NSC 32364
    • UNII-H390488X0A
    • CRODACID B
    • ORISTAR BA
    • AI3-52709
    • C22:0
    • MFCD00002807
    • NSC-32364
    • H390488X0A
    • EXL 5
    • PRIFRAC 2987
    • NAA 22S
    • NAA 222S
    • DTXSID3026930
    • Docosanoic acid (Chunks or pellets or flakes)
    • EC 204-010-8
    • NSC32364
    • FA 22:0
    • B 95
    • CH3-(CH2)20-COOH
    • CH3-[CH2]20-COOH
    • n-Docosanoate
    • 1-Docosanoate
    • docosanoyl alcohol
    • fatty acid 22:0
    • Behenic acid, 99%
    • Prifac 2987
    • Behenic Acid, Technical
    • Docosanoic acid, ?99%
    • BEHENIC ACID [MI]
    • SCHEMBL6579
    • EXL-5
    • Behenic acid; Docosanoic acid
    • DOCOSANOIC ACID [HSDB]
    • DTXCID306930
    • CHEMBL1173474
    • AGP-103
    • Behenic acid, analytical standard
    • BBL025601
    • BDBM50488776
    • LMFA01010022
    • s5381
    • STL146320
    • AKOS005720830
    • CCG-267927
    • CS-W013765
    • FB15647
    • HY-W013049
    • NCGC00475914-02
    • AS-54401
    • B-95
    • Docosanoic acid;Saturated fatty acid C22
    • B1248
    • B1747
    • D0963
    • NS00005465
    • C08281
    • P50011
    • Q422590
    • BEHENIC ACID (CONSTITUENT OF BORAGE SEED OIL)
    • BRD-K91495480-001-02-2
    • E2AAC59F-4B8D-460C-9C6E-E4E82C905122
    • 08O
    • 204-010-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.03
    methanol 4.95
    isopropanol 5.45
    water 0.01
    ethyl acetate 26.37
    n-propanol 6.13
    acetone 14.7
    n-butanol 8.08
    acetonitrile 4.35
    DMF 44.03
    toluene 11.62
    isobutanol 7.17
    1,4-dioxane 35.0
    methyl acetate 17.01
    THF 168.32
    2-butanone 27.07
    n-pentanol 9.63
    sec-butanol 8.72
    n-hexane 5.97
    ethylene glycol 0.53
    NMP 188.91
    cyclohexane 22.94
    DMSO 76.47
    n-butyl acetate 60.83
    n-octanol 21.96
    chloroform 103.12
    n-propyl acetate 57.95
    acetic acid 10.31
    dichloromethane 100.28
    cyclohexanone 123.15
    propylene glycol 2.15
    isopropyl acetate 39.53
    DMAc 114.17
    2-ethoxyethanol 24.72
    isopentanol 14.45
    n-heptane 8.59
    ethyl formate 13.61
    1,2-dichloroethane 66.77
    n-hexanol 12.51
    2-methoxyethanol 20.85
    isobutyl acetate 45.98
    tetrachloromethane 30.41
    n-pentyl acetate 113.01
    transcutol 206.81
    n-heptanol 19.36
    ethylbenzene 15.86
    MIBK 47.21
    2-propoxyethanol 33.95
    tert-butanol 18.78
    MTBE 33.06
    2-butoxyethanol 53.58
    propionic acid 12.21
    o-xylene 16.42
    formic acid 2.36
    diethyl ether 15.97
    m-xylene 13.96
    p-xylene 23.09
    chlorobenzene 26.88
    dimethyl carbonate 10.15
    n-octane 5.26
    formamide 4.84
    cyclopentanone 138.68
    2-pentanone 32.19
    anisole 34.1
    cyclopentyl methyl ether 80.91
    gamma-butyrolactone 121.02
    1-methoxy-2-propanol 30.68
    pyridine 38.2
    3-pentanone 29.71
    furfural 82.13
    n-dodecane 2.9
    diethylene glycol 11.04
    diisopropyl ether 16.79
    tert-amyl alcohol 24.04
    acetylacetone 51.99
    n-hexadecane 3.55
    acetophenone 55.64
    methyl propionate 23.33
    isopentyl acetate 74.51
    trichloroethylene 121.69
    n-nonanol 24.13
    cyclohexanol 25.98
    benzyl alcohol 17.88
    2-ethylhexanol 20.7
    isooctanol 24.63
    dipropyl ether 48.69
    1,2-dichlorobenzene 46.85
    ethyl lactate 26.98
    propylene carbonate 77.66
    n-methylformamide 11.22
    2-pentanol 9.52
    n-pentane 2.96
    1-propoxy-2-propanol 50.72
    1-methoxy-2-propyl acetate 71.67
    2-(2-methoxypropoxy) propanol 68.99
    mesitylene 15.84
    ε-caprolactone 117.54
    p-cymene 20.96
    epichlorohydrin 113.72
    1,1,1-trichloroethane 85.76
    2-aminoethanol 2.61
    morpholine-4-carbaldehyde 99.07
    sulfolane 311.78
    2,2,4-trimethylpentane 6.39
    2-methyltetrahydrofuran 102.47
    n-hexyl acetate 100.22
    isooctane 4.24
    2-(2-butoxyethoxy)ethanol 82.81
    sec-butyl acetate 52.9
    tert-butyl acetate 82.71
    decalin 13.23
    glycerin 5.2
    diglyme 185.73
    acrylic acid 8.35
    isopropyl myristate 39.73
    n-butyric acid 30.82
    acetyl acetate 23.48
    di(2-ethylhexyl) phthalate 29.06
    ethyl propionate 48.05
    nitromethane 24.82
    1,2-diethoxyethane 85.53
    benzonitrile 22.46
    trioctyl phosphate 23.59
    1-bromopropane 38.71
    gamma-valerolactone 170.36
    n-decanol 15.34
    triethyl phosphate 53.84
    4-methyl-2-pentanol 12.71
    propionitrile 7.62
    vinylene carbonate 47.44
    1,1,2-trichlorotrifluoroethane 88.62
    DMS 43.27
    cumene 16.54
    2-octanol 20.8
    2-hexanone 50.12
    octyl acetate 43.64
    limonene 37.06
    1,2-dimethoxyethane 83.49
    ethyl orthosilicate 55.39
    tributyl phosphate 32.39
    diacetone alcohol 74.46
    N,N-dimethylaniline 35.14
    acrylonitrile 7.75
    aniline 12.75
    1,3-propanediol 6.08
    bromobenzene 35.03
    dibromomethane 64.66
    1,1,2,2-tetrachloroethane 147.78
    2-methyl-cyclohexyl acetate 86.67
    tetrabutyl urea 56.06
    diisobutyl methanol 23.09
    2-phenylethanol 20.84
    styrene 15.93
    dioctyl adipate 69.22
    dimethyl sulfate 38.25
    ethyl butyrate 74.57
    methyl lactate 16.2
    butyl lactate 71.28
    diethyl carbonate 39.7
    propanediol butyl ether 43.08
    triethyl orthoformate 77.19
    p-tert-butyltoluene 21.59
    methyl 4-tert-butylbenzoate 96.78
    morpholine 54.37
    tert-butylamine 14.22
    n-dodecanol 10.71
    dimethoxymethane 28.5
    ethylene carbonate 43.84
    cyrene 71.8
    2-ethoxyethyl acetate 98.74
    2-ethylhexyl acetate 66.84
    1,2,4-trichlorobenzene 58.91
    4-methylpyridine 39.01
    dibutyl ether 64.39
    2,6-dimethyl-4-heptanol 23.09
    DEF 54.25
    dimethyl isosorbide 180.64
    tetrachloroethylene 82.43
    eugenol 67.95
    triacetin 114.84
    span 80 63.81
    1,4-butanediol 3.19
    1,1-dichloroethane 47.8
    2-methyl-1-pentanol 15.96
    methyl formate 7.91
    2-methyl-1-butanol 12.2
    n-decane 6.92
    butyronitrile 11.3
    3,7-dimethyl-1-octanol 28.87
    1-chlorooctane 31.71
    1-chlorotetradecane 9.51
    n-nonane 6.65
    undecane 4.16
    tert-butylcyclohexane 10.86
    cyclooctane 7.39
    cyclopentanol 28.16
    tetrahydropyran 61.0
    tert-amyl methyl ether 41.14
    2,5,8-trioxanonane 116.14
    1-hexene 12.65
    2-isopropoxyethanol 27.05
    2,2,2-trifluoroethanol 7.37
    methyl butyrate 72.57

    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
Decalepis hamiltonii root (India) Decalepis hamiltonii (Wight & Arn), fam. Asclepiadaceae 0.15%