Farnesal

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  • Identifiers

    CAS number
    19317-11-4

    Molecular formula
    C15H24O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1763.0

  • 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 19317-11-4) is a highly reactive, linear sesquiterpenoid aldehyde used mainly as a versatile intermediate in organic synthesis and flavor–fragrance applications: its formyl group enables oxime/hydrazone formation, chemoselective reductions, and Wittig/Horner–Wadsworth–Emmons and aldol reactions to build polyenes, terpenes, and macrocycles, providing access to farnesoic acid/methyl farnesoate, juvenile-hormone analogs, and numerous aldehydic insect pheromones for trapping, monitoring, and IPM; in biological research, farnesal serves as a biomimetic intermediate of the insect mevalonate pathway (farnesol → farnesal → farnesoic acid), used to characterize dehydrogenase/oxidase enzymes in JH biosynthesis and to screen inhibitors; in perfumery/cosmetics, farnesal (floral–citrus–herbal, aldehydic facets) is applied at very low dosage as a note modifier in white-floral, citrus, or green accords and as a starting point for longer-lasting derivatives; additionally, its convenient C15 backbone makes it a building block to introduce a farnesyl tail (via reduction/amination/halogenation) for designing precursors to biological prenylation, membrane-anchoring materials, and farnesyl-based delivery systems; the polyconjugated aldehyde is air/light sensitive and is typically stored cold under inert atmosphere and used in-line.

  • 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
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.11 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.34 %
Category 2
Products applied to the axillae
 0.032 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.34 %
Category 3
Products applied to the face/body using fingertips
 0.11 % Category 8
Products with significant anogenital exposure
 0.051 %
Category 4
Products related to fine fragrance
 0.6 % Category 9
Products with body and hand exposure, primarily rinse off
 0.57 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.15 % Category 10A
Household care products with mostly hand contact
 0.57 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.15 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 4.2 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.15 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.051 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.051 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.051 %
Category 6
Products with oral and lip exposure
 0.11 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.05%
Cymbopogon distans 2 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 2), fam. Poaceae (Gramineae) 0.5%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.2%
Pummelo (Shaddock) (Vietnam) flower 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.8%
Lemongrass (India) 1 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 2.7%
Citron (Italy) peel 1b Citrus medica L., cultivar Diamante, fam. Rutaceae 0.1%
Citron (Italy) peel 1c Citrus medica L., cultivar Diamante, fam. Rutaceae 0.35%
Ferula flabelliloba Ferula flabelliloba Rech. F. et Aell., fam. Apiaceae (Umbelliferae) 2.1%
Orange leaf, sweet (China) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.07%