trans,trans-Farnesol

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  • Identifiers

    CAS number
    4602-84-0

    Molecular formula
    C15H26O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1723.0
    • Carbowax: 2299.67

  • Odor profile

    Fragrance
    Floral 90.45%
    Rose 65.81%
    Waxy 64.52%
    Sweet 60.12%
    Citrus 50.64%
    Green 48.91%
    Fruity 48.09%
    Fresh 47.42%
    Balsamic 46.27%
    Muguet 42.06%

     

    Flavor
    Floral 83.69%
    Waxy 65.24%
    Sweet 64.37%
    Citrus 59.38%
    Rose 58.55%
    Fresh 45.61%
    Fruity 42.95%
    Green 42.45%
    Orange 41.91%
    Flower 41.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.42 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • < 25 °C

    Boiling point

    • 283.00 to 284.00 °C. @ 760.00 mm Hg

    Flash point

    • 136.37 ˚C est.

  • Synonyms

    • farnesol
    • trans,trans-Farnesol
    • 106-28-5
    • (E,E)-Farnesol
    • (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    • 4602-84-0
    • trans-Farnesol
    • (2E,6E)-Farnesol
    • 2-trans,6-trans-Farnesol
    • All-trans-Farnesol
    • Farnesyl alcohol
    • 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
    • Inhibitor A2
    • FCI 119a
    • 2,6-Di-trans-Farnesol
    • (E)-farnesol
    • 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-
    • HSDB 445
    • 2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6E)-
    • 2E,6E-farnesol
    • 3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    • 3,7,11-Trimethyl-2,6,10-dodecatrienol
    • (E,?E)?-?Farnesol
    • CHEBI:16619
    • X23PI60R17
    • (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
    • Trimethyl dodecatrienol
    • 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E)-
    • EINECS 225-004-1
    • UNII-EB41QIU6JL
    • MFCD00002918
    • NSC 60597
    • EPA Pesticide Chemical Code 128911
    • Nikkosome
    • (2-trans,6-trans)-farnesol
    • AI3-44561
    • (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
    • trans,trans-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
    • FEMA No. 2478
    • CIS-TRANS-FARNESOL
    • EB41QIU6JL
    • FEMA 2478
    • DTXCID80196591
    • transfarnesol
    • UNII-X23PI60R17
    • trans- farnesol
    • trans,trans-Farnesol; trans-Farnesol
    • .beta.-Farnesol
    • E,E-farnesol
    • all-trans farnesol
    • (E,E)farnesol
    • FOF
    • trans,trans farnesol
    • (E,)-arnesol
    • Farnesol (6CI)
    • (E,E,)-farnesol
    • Farnesol (Standard)
    • Farnesol, 95%
    • trans, trans-Farnesol
    • ALL-E-FARNESOL
    • Farnesol (2E,6E)
    • Farnesol, (E,E)-
    • Farnesol, trans, trans
    • ST072172
    • 2E,6E-Farnesyl alcohol
    • Spectrum5_002027
    • trans,trans-alpha-farnesol
    • trans,trans-Farnesol, 96%
    • trans,trans-Farnesol, 97%
    • SCHEMBL58068
    • 2-trans-S-6-trans-farnesol
    • BSPBio_002660
    • Farnesol, analytical standard
    • CHEMBL25308
    • SPECTRUM1501022
    • (E)-.BETA.-FARNESOL
    • HY-Y0248AR
    • DTXSID2040789
    • (E,E)-2,6-FARNESOL
    • BDBM11021
    • CHEBI:26199
    • CHEBI:28600
    • FARNESOL, (2E,6E)-
    • HY-Y0248A
    • BCP22704
    • HY-Y0248
    • Tox21_302034
    • AC-422
    • BBL027412
    • CCG-38862
    • s4941
    • STL372743
    • AKOS004907430
    • LMPR0103010001
    • NCGC00095654-01
    • NCGC00095654-02
    • NCGC00095654-03
    • NCGC00095654-04
    • NCGC00095654-05
    • NCGC00255293-01
    • trans,trans-Farnesol, analytical standard
    • AS-16107
    • DA-63376
    • LS-14447
    • CAS-4602-84-0
    • FARNESOL TRANS,TRANS-FARNESOL [MI]
    • CS-0008518
    • CS-0031456
    • FEMA NO. 2478, (2E,6E)-
    • NS00007807
    • T0608
    • C01126
    • EN300-1692687
    • Q420449
    • BRD-K24656285-001-01-0
    • (2E, 6E)-3,7,11-trimethyl2,6,10-dodecatrien-1-ol
    • (E,E,)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
    • F1905-7040
    • Z2315575130
    • (2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trien-1-ol
    • (E,E)-3,7,11-TRIMETHYL-2,6,10-DODECATNEN-1-OL
    • 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (8CI,9CI)
    • A2865747-EC66-4B9C-A593-0A066A438904
    • (2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    • 3,7,11-TRIMETHYLDODECA-2-TRANS,6-TRANS,10-TRIEN-1-OL
    • InChI=1/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11
    • trans,trans-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

  • Applications

    trans,trans-Farnesol (CAS 4602-84-0) is a sesquiterpene alcohol widely used in perfumery and cosmetics as a fragrance ingredient and fixative; it also serves as an odorant in household cleaning products and home-care formulations; in industrial manufacturing it is used as an intermediate or precursor in the synthesis of other aroma chemicals; it is sometimes incorporated into coatings and inks as a fragrance additive to impart a lasting scent; these applications reflect its primary role as a fragrance component and fixative, with use subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 589.99
    methanol 313.58
    isopropanol 467.1
    water 0.06
    ethyl acetate 448.5
    n-propanol 466.84
    acetone 269.13
    n-butanol 567.9
    acetonitrile 148.96
    DMF 114.22
    toluene 195.66
    isobutanol 285.96
    1,4-dioxane 938.53
    methyl acetate 224.77
    THF 1268.53
    2-butanone 340.02
    n-pentanol 383.19
    sec-butanol 432.9
    n-hexane 250.19
    ethylene glycol 15.9
    NMP 118.23
    cyclohexane 311.35
    DMSO 196.82
    n-butyl acetate 441.74
    n-octanol 159.08
    chloroform 548.9
    n-propyl acetate 294.68
    acetic acid 118.8
    dichloromethane 400.61
    cyclohexanone 421.5
    propylene glycol 72.04
    isopropyl acetate 287.81
    DMAc 171.47
    2-ethoxyethanol 368.93
    isopentanol 399.66
    n-heptane 213.29
    ethyl formate 128.9
    1,2-dichloroethane 303.29
    n-hexanol 546.98
    2-methoxyethanol 418.43
    isobutyl acetate 205.39
    tetrachloromethane 110.75
    n-pentyl acetate 219.53
    transcutol 1278.27
    n-heptanol 205.26
    ethylbenzene 132.1
    MIBK 254.0
    2-propoxyethanol 525.23
    tert-butanol 595.01
    MTBE 738.93
    2-butoxyethanol 295.94
    propionic acid 109.68
    o-xylene 118.89
    formic acid 21.11
    diethyl ether 1050.92
    m-xylene 141.76
    p-xylene 140.26
    chlorobenzene 139.51
    dimethyl carbonate 34.6
    n-octane 49.25
    formamide 32.37
    cyclopentanone 296.67
    2-pentanone 390.06
    anisole 221.38
    cyclopentyl methyl ether 493.26
    gamma-butyrolactone 215.93
    1-methoxy-2-propanol 384.5
    pyridine 344.33
    3-pentanone 233.26
    furfural 185.39
    n-dodecane 21.6
    diethylene glycol 160.15
    diisopropyl ether 277.51
    tert-amyl alcohol 469.61
    acetylacetone 212.45
    n-hexadecane 25.27
    acetophenone 150.29
    methyl propionate 181.93
    isopentyl acetate 374.95
    trichloroethylene 393.38
    n-nonanol 155.52
    cyclohexanol 362.89
    benzyl alcohol 131.59
    2-ethylhexanol 342.96
    isooctanol 167.63
    dipropyl ether 773.56
    1,2-dichlorobenzene 125.47
    ethyl lactate 86.12
    propylene carbonate 147.27
    n-methylformamide 57.96
    2-pentanol 409.65
    n-pentane 204.54
    1-propoxy-2-propanol 504.44
    1-methoxy-2-propyl acetate 334.82
    2-(2-methoxypropoxy) propanol 260.73
    mesitylene 102.84
    ε-caprolactone 346.76
    p-cymene 111.42
    epichlorohydrin 408.11
    1,1,1-trichloroethane 308.37
    2-aminoethanol 80.41
    morpholine-4-carbaldehyde 257.08
    sulfolane 206.78
    2,2,4-trimethylpentane 68.42
    2-methyltetrahydrofuran 873.45
    n-hexyl acetate 281.64
    isooctane 59.09
    2-(2-butoxyethoxy)ethanol 403.13
    sec-butyl acetate 252.5
    tert-butyl acetate 326.53
    decalin 90.93
    glycerin 68.15
    diglyme 684.96
    acrylic acid 50.69
    isopropyl myristate 121.96
    n-butyric acid 324.0
    acetyl acetate 152.1
    di(2-ethylhexyl) phthalate 90.23
    ethyl propionate 227.86
    nitromethane 120.91
    1,2-diethoxyethane 704.59
    benzonitrile 131.22
    trioctyl phosphate 67.61
    1-bromopropane 398.7
    gamma-valerolactone 418.03
    n-decanol 110.16
    triethyl phosphate 122.62
    4-methyl-2-pentanol 208.29
    propionitrile 190.3
    vinylene carbonate 105.72
    1,1,2-trichlorotrifluoroethane 182.13
    DMS 113.08
    cumene 101.51
    2-octanol 130.03
    2-hexanone 329.53
    octyl acetate 136.99
    limonene 201.35
    1,2-dimethoxyethane 747.3
    ethyl orthosilicate 153.68
    tributyl phosphate 87.84
    diacetone alcohol 274.07
    N,N-dimethylaniline 145.97
    acrylonitrile 105.09
    aniline 174.25
    1,3-propanediol 187.18
    bromobenzene 149.18
    dibromomethane 353.07
    1,1,2,2-tetrachloroethane 396.37
    2-methyl-cyclohexyl acetate 256.5
    tetrabutyl urea 101.64
    diisobutyl methanol 190.66
    2-phenylethanol 189.81
    styrene 135.46
    dioctyl adipate 158.13
    dimethyl sulfate 41.17
    ethyl butyrate 377.74
    methyl lactate 57.98
    butyl lactate 138.57
    diethyl carbonate 186.61
    propanediol butyl ether 186.86
    triethyl orthoformate 292.36
    p-tert-butyltoluene 115.14
    methyl 4-tert-butylbenzoate 171.51
    morpholine 1162.49
    tert-butylamine 482.36
    n-dodecanol 83.07
    dimethoxymethane 241.68
    ethylene carbonate 114.56
    cyrene 142.94
    2-ethoxyethyl acetate 274.77
    2-ethylhexyl acetate 314.31
    1,2,4-trichlorobenzene 137.74
    4-methylpyridine 305.89
    dibutyl ether 394.31
    2,6-dimethyl-4-heptanol 190.66
    DEF 270.86
    dimethyl isosorbide 381.62
    tetrachloroethylene 242.63
    eugenol 147.47
    triacetin 191.68
    span 80 249.85
    1,4-butanediol 60.75
    1,1-dichloroethane 320.45
    2-methyl-1-pentanol 297.06
    methyl formate 34.79
    2-methyl-1-butanol 339.37
    n-decane 48.76
    butyronitrile 342.76
    3,7-dimethyl-1-octanol 174.54
    1-chlorooctane 138.66
    1-chlorotetradecane 49.13
    n-nonane 52.13
    undecane 30.19
    tert-butylcyclohexane 89.39
    cyclooctane 101.28
    cyclopentanol 225.46
    tetrahydropyran 1376.34
    tert-amyl methyl ether 469.95
    2,5,8-trioxanonane 416.47
    1-hexene 496.8
    2-isopropoxyethanol 280.76
    2,2,2-trifluoroethanol 21.09
    methyl butyrate 288.3

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction / Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.21 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.4 %
Category 2
Products applied to the axillae
 0.062 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.4 %
Category 3
Products applied to the face/body using fingertips
 1.2 % Category 8
Products with significant anogenital exposure
 0.12 %
Category 4
Products related to fine fragrance
 1.2 % Category 9
Products with body and hand exposure, primarily rinse off
 2.3 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.29 % Category 10A
Household care products with mostly hand contact
 8.1 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.29 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 8.1 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.29 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 4.5 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.29 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 4.5 %
Category 6
Products with oral and lip exposure
 0.68 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Specification
Farnesol should only be used as a fragrance ingredient if it contains a minimum of 96% of farnesol isomers as determined by GLC.

Botanical

Name CAS Botanical Proportion
Ageratum conyzoides (Vietnam) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.2%
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 0.1%
Asafoetida (Pakistan) 1a 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.1%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.4%
Ylang Ylang (Fiji) 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 21.0%
Cardamom seed 1 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.05%
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.01%
Cardamom (Reunion) 8000-66-6 Elettaria cardamomum (L.) Maton, var. alpha-minor, fam. Zingiberaceae 0.1%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.08%
Chamomile, german (Argentina) 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 1.93%
Citronella java 1 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.6%
Cymbopogon distans 1 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 1), fam. Poaceae (Gramineae) 5.1%
Cymbopogon distans 2 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 2), fam. Poaceae (Gramineae) 0.3%
Cymbopogon jwarancusa (India) Cymbopogon jwarancusa (Jones) Schult., fam. Poaceae (Gramineae) 0.3%
Davana (India) 1 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 0.05%
Ginger (Sri Lanka) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 2.8%
Ginger (Sri Lanka) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 1.2%
Ginger (Sri Lanka) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 2.0%
Ginger (Sri Lanka) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 1.6%
Mullilam Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.5%
Neroli bigarade (bitter orange flower) Spain 2 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 1.0%
Ocimum basilicum, Methyl cinnamate type III Ocimum basilicum L. (Chemotype III), fam. Lamiaceae (Labiatae) 2.93%
Ocimum basilicum, Methyl cinnamate type I Ocimum basilicum L. (Chemotype I), fam. Lamiaceae (Labiatae) 1.69%
Ocimum basilicum, Methyl cinnamate type II Ocimum basilicum L. (Chemotype II), fam. Lamiaceae (Labiatae) 1.6%
Orange, bitter (Spain) 1 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.02%
Orange, bitter (Spain) 2 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.02%
Palmarosa (India) 5 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.22%
Bitter orange leaf (Petitgrain) (Spain) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.1%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.15%
Santolina canescens Santolina rosmarinifolia (L.) ssp. canescens (Lag.) Nyman, fam. Asteraceae 3.2%
Santolina pectina Santolina pectina Lag., fam. Asteraceae (Compositae) 2.4%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 4.75%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.19%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Citronella ceylon 1 8000-29-1 Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 0.01%
Lemongrass (Nigeria) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 2.4%
Cumin (India) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 2.98%
Lemongrass (India) 1 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 9.4%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.04%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.93%
Jasmine absolute (France) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.0%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.0%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.0%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.0%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.0%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 6.0%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.18%