Farnesal

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  • Identifiers

    CAS number
    502-67-0

    Molecular formula
    C15H24O

    SMILES
    CC(=CCC/C(=C/CC/C(=C/C=O)/C)/C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 81.51%
    Citrus 68.51%
    Sweet 64.23%
    Fruity 60.08%
    Waxy 57.31%
    Fresh 53.8%
    Rose 48.87%
    Lemon 48.59%
    Woody 46.38%
    Aldehydic 46.33%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.64 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point est.
    129.29 ˚C

    Solubility expt.

    • Insoluble in water; 50% soluble in heptane, triacetin
    • soluble (in ethanol)

  • Synonyms

    • Farnesal
    • 19317-11-4
    • 502-67-0
    • (2E,6E)-Farnesal
    • (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
    • E,E-Farnesal
    • trans-farnesal
    • trans,trans-Farnesal
    • 2-trans,6-trans-Farnesal
    • (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienal
    • trans,trans-2,6-Farnesal
    • 3,7,11-trimethyl-2,6,10-dodecatrienal
    • 3,7,11-trimethyldodeca-2,6,10-trienal
    • 2,6,10-Dodecatrienal, 3,7,11-trimethyl-
    • Farnesal, (2E,6E)-
    • (2-trans,6-trans)-farnesal
    • (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal
    • 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-
    • (2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal
    • CHEBI:15894
    • G4E58106EW
    • 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (2E,6E)-
    • 3,7,11-Trimethyl-dodeca-2,6,10-trienal
    • Farnesal (Mixture of Isomers, Technical Grade)
    • (e,e)-farnesal
    • UNII-G4E58106EW
    • UNII-R265G157TQ
    • farnesal, pract.
    • EINECS 242-957-9
    • FARNESOL_met006
    • AI3-32959
    • 2-trans-6-trans-farnesal
    • CHEMBL3120646
    • CHEBI:24012
    • DTXSID60880981
    • R265G157TQ
    • MFCD00038089
    • AKOS024263035
    • Farnesal (Mixture of Isomers pound(c)
    • LMPR0103010012
    • FEMA NO. 4019, (2E,6E)-
    • C03461
    • G86061
    • (2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienal
    • (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienaldehyde
    • Q27098285
    • (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-al
    • (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal #

  • Applications

    Farnesal (CAS 502-67-0) is a linear sesquiterpenoid aldehyde with a highly conjugated farnesyl chain, used broadly as a versatile building block: an intermediate for synthesizing isoprenoids/terpenoids (vitamin and coenzyme farnesyl tails, carotenoids, semisynthetic farnesol derivatives), in agrochemical R&D for insect pheromones and juvenile-hormone analogs, as a fragrance/flavor ingredient or precursor imparting aldehydic citrus–green facets to fine fragrances and personal care, as a hydrophobic farnesyl anchor that couples to amines and other nucleophiles via Schiff-base (oxime/hydrazone) chemistry when engineering lipidated peptides, membrane probes, nanocarriers and functionalized polymer surfaces, as an analytical standard and model substrate in studies of isoprenoid metabolism and aldehyde-transforming enzymes, and as a reversible dynamic linker for self-healing materials; its reactive –CHO and C15 hydrophobe enable selective functionalization, solid-surface attachment and membrane-permeability tuning, while storage under inert atmosphere, cool and dark, is advised to limit oxidation/isomerization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 276.96
    methanol 178.21
    isopropanol 192.83
    water 0.04
    ethyl acetate 312.5
    n-propanol 208.75
    acetone 158.17
    n-butanol 247.4
    acetonitrile 116.59
    DMF 94.0
    toluene 193.81
    isobutanol 131.2
    1,4-dioxane 607.54
    methyl acetate 167.87
    THF 738.66
    2-butanone 238.63
    n-pentanol 192.72
    sec-butanol 194.26
    n-hexane 128.29
    ethylene glycol 9.59
    NMP 114.31
    cyclohexane 156.12
    DMSO 111.72
    n-butyl acetate 316.11
    n-octanol 79.56
    chloroform 604.88
    n-propyl acetate 223.48
    acetic acid 83.8
    dichloromethane 442.59
    cyclohexanone 336.12
    propylene glycol 40.99
    isopropyl acetate 210.48
    DMAc 154.99
    2-ethoxyethanol 202.1
    isopentanol 195.07
    n-heptane 86.71
    ethyl formate 99.21
    1,2-dichloroethane 298.19
    n-hexanol 284.56
    2-methoxyethanol 224.22
    isobutyl acetate 162.18
    tetrachloromethane 88.17
    n-pentyl acetate 147.35
    transcutol 1009.7
    n-heptanol 98.35
    ethylbenzene 141.03
    MIBK 170.5
    2-propoxyethanol 324.12
    tert-butanol 256.42
    MTBE 355.36
    2-butoxyethanol 168.95
    propionic acid 76.6
    o-xylene 119.42
    formic acid 16.29
    diethyl ether 494.33
    m-xylene 139.11
    p-xylene 155.7
    chlorobenzene 162.4
    dimethyl carbonate 31.28
    n-octane 23.58
    formamide 25.16
    cyclopentanone 236.46
    2-pentanone 236.56
    anisole 216.15
    cyclopentyl methyl ether 320.45
    gamma-butyrolactone 189.62
    1-methoxy-2-propanol 209.25
    pyridine 342.3
    3-pentanone 166.89
    furfural 193.14
    n-dodecane 12.19
    diethylene glycol 106.71
    diisopropyl ether 144.09
    tert-amyl alcohol 216.99
    acetylacetone 174.59
    n-hexadecane 14.34
    acetophenone 166.69
    methyl propionate 138.41
    isopentyl acetate 284.88
    trichloroethylene 451.88
    n-nonanol 83.83
    cyclohexanol 196.6
    benzyl alcohol 129.16
    2-ethylhexanol 194.73
    isooctanol 87.28
    dipropyl ether 368.49
    1,2-dichlorobenzene 154.29
    ethyl lactate 71.54
    propylene carbonate 133.64
    n-methylformamide 43.96
    2-pentanol 179.26
    n-pentane 76.03
    1-propoxy-2-propanol 303.75
    1-methoxy-2-propyl acetate 278.83
    2-(2-methoxypropoxy) propanol 210.37
    mesitylene 96.83
    ε-caprolactone 284.79
    p-cymene 97.24
    epichlorohydrin 351.66
    1,1,1-trichloroethane 303.14
    2-aminoethanol 47.33
    morpholine-4-carbaldehyde 217.18
    sulfolane 174.02
    2,2,4-trimethylpentane 35.65
    2-methyltetrahydrofuran 570.13
    n-hexyl acetate 204.31
    isooctane 30.44
    2-(2-butoxyethoxy)ethanol 276.12
    sec-butyl acetate 195.56
    tert-butyl acetate 232.56
    decalin 67.52
    glycerin 40.48
    diglyme 492.8
    acrylic acid 43.08
    isopropyl myristate 97.05
    n-butyric acid 200.93
    acetyl acetate 133.08
    di(2-ethylhexyl) phthalate 76.52
    ethyl propionate 183.48
    nitromethane 102.18
    1,2-diethoxyethane 471.94
    benzonitrile 145.15
    trioctyl phosphate 49.07
    1-bromopropane 296.73
    gamma-valerolactone 338.79
    n-decanol 61.42
    triethyl phosphate 104.2
    4-methyl-2-pentanol 111.82
    propionitrile 142.14
    vinylene carbonate 107.05
    1,1,2-trichlorotrifluoroethane 154.82
    DMS 113.15
    cumene 103.4
    2-octanol 65.41
    2-hexanone 234.24
    octyl acetate 104.03
    limonene 156.12
    1,2-dimethoxyethane 446.41
    ethyl orthosilicate 117.27
    tributyl phosphate 69.93
    diacetone alcohol 188.96
    N,N-dimethylaniline 145.68
    acrylonitrile 96.43
    aniline 154.82
    1,3-propanediol 95.62
    bromobenzene 183.3
    dibromomethane 354.74
    1,1,2,2-tetrachloroethane 422.36
    2-methyl-cyclohexyl acetate 217.53
    tetrabutyl urea 85.21
    diisobutyl methanol 121.31
    2-phenylethanol 170.82
    styrene 150.97
    dioctyl adipate 136.39
    dimethyl sulfate 36.96
    ethyl butyrate 270.0
    methyl lactate 43.88
    butyl lactate 101.57
    diethyl carbonate 153.33
    propanediol butyl ether 119.3
    triethyl orthoformate 202.73
    p-tert-butyltoluene 96.77
    methyl 4-tert-butylbenzoate 148.36
    morpholine 693.77
    tert-butylamine 211.78
    n-dodecanol 48.22
    dimethoxymethane 151.86
    ethylene carbonate 101.68
    cyrene 126.86
    2-ethoxyethyl acetate 213.32
    2-ethylhexyl acetate 238.46
    1,2,4-trichlorobenzene 169.53
    4-methylpyridine 311.55
    dibutyl ether 223.99
    2,6-dimethyl-4-heptanol 121.31
    DEF 191.84
    dimethyl isosorbide 345.16
    tetrachloroethylene 242.58
    eugenol 132.1
    triacetin 169.86
    span 80 177.61
    1,4-butanediol 36.6
    1,1-dichloroethane 307.91
    2-methyl-1-pentanol 175.71
    methyl formate 29.07
    2-methyl-1-butanol 162.36
    n-decane 24.98
    butyronitrile 221.86
    3,7-dimethyl-1-octanol 109.94
    1-chlorooctane 87.34
    1-chlorotetradecane 34.31
    n-nonane 25.49
    undecane 16.43
    tert-butylcyclohexane 62.38
    cyclooctane 52.32
    cyclopentanol 124.42
    tetrahydropyran 797.36
    tert-amyl methyl ether 260.74
    2,5,8-trioxanonane 321.58
    1-hexene 300.68
    2-isopropoxyethanol 167.4
    2,2,2-trifluoroethanol 17.3
    methyl butyrate 225.8

    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
Ambrette seed 1 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 1.0%
Ginger (Nigeria) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.4%
Ginger (Nigeria) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.47%
Cymbidium goeringii flower headspace Cymbidium goeringii (Rchb.f.) Rchb.f., fam Orchidaceae 1.1%
Lemon flower headspace (clone SG) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.4%
Lemon flower headspace (clone ZH) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 2.4%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%
Croton ovalifolius (Venezuela) Croton ovalifolius Vahl, fam. Euphorbiaceae 0.7%