Citronellyl formate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    105-85-1

    Molecular formula
    C11H20O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1279.0
    • Carbowax: 1603.0

  • Odor profile

    Floral 88.2%
    Green 82.75%
    Rose 75.2%
    Citrus 73.61%
    Fruity 70.03%
    Waxy 66.83%
    Sweet 64.42%
    Fresh 63.24%
    Geranium 47.42%
    Leafy 47.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 235.00 °C. @ 760.00 mm Hg

    Flash point est.
    87.71 ˚C

    Solubility expt.

    • soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerin, water
    • 1 ml in 3 ml 80% alcohol remains in soln to 10 ml (in ethanol)

  • Synonyms

    • Citronellyl formate
    • 105-85-1
    • 3,7-dimethyloct-6-en-1-yl formate
    • 6-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE
    • Formic acid, citronellyl ester
    • Citronellyl methanoate
    • 3,7-dimethyloct-6-enyl formate
    • Citronellol formate
    • 2,6-Dimethyl-2-octen-8-yl formate
    • 3,7-Dimethyl-6-octen-1-yl formate
    • FEMA No. 2314
    • (1)-3,7-Dimethyloct-6-enyl formate
    • 3,7-Dimethyl-6-octen-1-yl methanoate
    • Formic acid, 3,7-dimethyl-6-octen-1-yl ester
    • 7B1MY2BRDK
    • 93919-91-6
    • EINECS 203-338-9
    • EINECS 300-075-2
    • NSC 46117
    • BRN 1723215
    • DTXSID1044772
    • AI3-24239
    • 6-Octen-1-ol, 3,7-dimethyl-, 1-formate
    • NSC-46117
    • (+)-3,7-Dimethyloct-6-enyl formate
    • (-)-3,7-Dimethyloct-6-enyl formate
    • DTXCID9024772
    • CHEBI:31406
    • CITRONELLYL FORMATE [FCC]
    • CITRONELLYL FORMATE [FHFI]
    • (+/-)-CITRONELLYL FORMATE
    • 2-02-00-00032 (Beilstein Handbook Reference)
    • CITRONELLYL FORMATE, (+/-)-
    • 93919-93-8
    • UNII-7B1MY2BRDK
    • Citronellol formate (6CI)
    • Citronelyl formate
    • EINECS 300-076-8
    • EINECS 300-078-9
    • Citronellyl formate, FCC
    • SCHEMBL416782
    • CHEMBL3184928
    • FEMA 2314
    • WLN: VHO2Y1&3UY1&1
    • NSC46117
    • 3,7-Dimethyl-6-octenyl formate #
    • Tox21_301031
    • 6-Octen-1-ol,7-dimethyl-, formate
    • AKOS016009786
    • 2, 6-Dimethyl-2-octen-8-yl formate
    • LMPR0102010014
    • NCGC00248262-01
    • NCGC00254933-01
    • 6-Octen-1-ol,3,7-dimethyl-,1-formate
    • AS-62928
    • CAS-105-85-1
    • Formic acid,7-dimethyl-6-octen-1-yl ester
    • CS-0186751
    • NS00012114
    • F88176
    • Q27114304
    • 203-338-9

  • Applications

    Citronellyl formate (CAS 105-85-1) is a fragrance ester with sweet, fruity, citrus–rose facets used widely to build and tune top-to-heart notes in fine fragrances and personal care products (body sprays, shampoos, shower gels, lotions, deodorants, aftershaves), adding fresh softness and rounding citrus/flower accords, while imparting a clean impression in soaps, detergents, fabric softeners, dish liquids, and multipurpose cleaners; in home care it lends a pleasant tone to candles, wax melts, reed diffusers, and air fresheners, often blended with citronellol, geraniol, and other citrus esters for lift and diffusion; it is also occasionally employed at trace levels as a food flavoring to evoke citrus–fruity nuances where permitted by regulation, and as a precursor/intermediate in the synthesis and study of citronellol-derived aroma chemicals; the material can be sourced naturally (e.g., from citronella or geranium oils) or synthetically, is generally compatible with most surfactant systems but may hydrolyze under strong acid/alkali, and is therefore used at low levels in line with IFRA guidance and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1580.47
    methanol 1233.03
    isopropanol 1130.13
    water 0.25
    ethyl acetate 948.92
    n-propanol 995.37
    acetone 992.67
    n-butanol 938.13
    acetonitrile 679.88
    DMF 480.4
    toluene 277.3
    isobutanol 594.39
    1,4-dioxane 1453.33
    methyl acetate 604.88
    THF 1729.37
    2-butanone 811.32
    n-pentanol 599.88
    sec-butanol 775.07
    n-hexane 78.36
    ethylene glycol 102.06
    NMP 360.26
    cyclohexane 151.35
    DMSO 667.28
    n-butyl acetate 616.39
    n-octanol 191.61
    chloroform 1551.34
    n-propyl acetate 514.77
    acetic acid 666.04
    dichloromethane 1227.65
    cyclohexanone 933.8
    propylene glycol 280.01
    isopropyl acetate 468.74
    DMAc 355.6
    2-ethoxyethanol 686.13
    isopentanol 658.95
    n-heptane 45.92
    ethyl formate 404.62
    1,2-dichloroethane 754.77
    n-hexanol 642.38
    2-methoxyethanol 1093.68
    isobutyl acetate 300.91
    tetrachloromethane 183.5
    n-pentyl acetate 269.89
    transcutol 2152.14
    n-heptanol 193.77
    ethylbenzene 155.33
    MIBK 362.78
    2-propoxyethanol 775.1
    tert-butanol 1163.18
    MTBE 778.91
    2-butoxyethanol 359.35
    propionic acid 444.58
    o-xylene 162.8
    formic acid 141.23
    diethyl ether 885.51
    m-xylene 212.61
    p-xylene 198.27
    chlorobenzene 329.99
    dimethyl carbonate 98.87
    n-octane 16.16
    formamide 196.0
    cyclopentanone 820.8
    2-pentanone 697.46
    anisole 325.83
    cyclopentyl methyl ether 671.65
    gamma-butyrolactone 735.88
    1-methoxy-2-propanol 811.56
    pyridine 809.56
    3-pentanone 362.94
    furfural 610.1
    n-dodecane 11.95
    diethylene glycol 415.06
    diisopropyl ether 185.21
    tert-amyl alcohol 729.51
    acetylacetone 544.93
    n-hexadecane 14.06
    acetophenone 282.9
    methyl propionate 414.65
    isopentyl acetate 522.8
    trichloroethylene 1346.19
    n-nonanol 164.78
    cyclohexanol 694.76
    benzyl alcohol 299.45
    2-ethylhexanol 311.66
    isooctanol 157.62
    dipropyl ether 373.39
    1,2-dichlorobenzene 273.28
    ethyl lactate 183.17
    propylene carbonate 425.54
    n-methylformamide 287.45
    2-pentanol 593.64
    n-pentane 66.91
    1-propoxy-2-propanol 599.95
    1-methoxy-2-propyl acetate 507.83
    2-(2-methoxypropoxy) propanol 357.09
    mesitylene 130.9
    ε-caprolactone 762.24
    p-cymene 110.5
    epichlorohydrin 1128.03
    1,1,1-trichloroethane 736.24
    2-aminoethanol 341.34
    morpholine-4-carbaldehyde 615.41
    sulfolane 631.78
    2,2,4-trimethylpentane 34.13
    2-methyltetrahydrofuran 1304.91
    n-hexyl acetate 389.92
    isooctane 31.89
    2-(2-butoxyethoxy)ethanol 535.23
    sec-butyl acetate 336.1
    tert-butyl acetate 458.81
    decalin 50.92
    glycerin 245.55
    diglyme 927.66
    acrylic acid 272.33
    isopropyl myristate 138.0
    n-butyric acid 845.38
    acetyl acetate 373.36
    di(2-ethylhexyl) phthalate 133.6
    ethyl propionate 366.37
    nitromethane 755.39
    1,2-diethoxyethane 625.69
    benzonitrile 373.93
    trioctyl phosphate 92.88
    1-bromopropane 564.17
    gamma-valerolactone 1041.11
    n-decanol 115.36
    triethyl phosphate 134.19
    4-methyl-2-pentanol 280.5
    propionitrile 531.4
    vinylene carbonate 362.73
    1,1,2-trichlorotrifluoroethane 612.2
    DMS 237.17
    cumene 107.29
    2-octanol 130.59
    2-hexanone 518.02
    octyl acetate 170.67
    limonene 186.1
    1,2-dimethoxyethane 973.06
    ethyl orthosilicate 146.91
    tributyl phosphate 125.48
    diacetone alcohol 507.62
    N,N-dimethylaniline 182.43
    acrylonitrile 477.38
    aniline 374.22
    1,3-propanediol 551.28
    bromobenzene 330.63
    dibromomethane 884.43
    1,1,2,2-tetrachloroethane 1041.77
    2-methyl-cyclohexyl acetate 283.88
    tetrabutyl urea 138.49
    diisobutyl methanol 177.29
    2-phenylethanol 312.94
    styrene 188.9
    dioctyl adipate 214.18
    dimethyl sulfate 127.79
    ethyl butyrate 392.45
    methyl lactate 178.3
    butyl lactate 215.47
    diethyl carbonate 230.58
    propanediol butyl ether 356.15
    triethyl orthoformate 249.03
    p-tert-butyltoluene 112.29
    methyl 4-tert-butylbenzoate 243.93
    morpholine 1980.98
    tert-butylamine 679.59
    n-dodecanol 85.15
    dimethoxymethane 442.94
    ethylene carbonate 331.05
    cyrene 263.87
    2-ethoxyethyl acetate 381.85
    2-ethylhexyl acetate 381.3
    1,2,4-trichlorobenzene 331.31
    4-methylpyridine 704.61
    dibutyl ether 276.47
    2,6-dimethyl-4-heptanol 177.29
    DEF 491.93
    dimethyl isosorbide 517.37
    tetrachloroethylene 613.38
    eugenol 241.34
    triacetin 336.85
    span 80 340.26
    1,4-butanediol 188.35
    1,1-dichloroethane 882.78
    2-methyl-1-pentanol 412.61
    methyl formate 182.97
    2-methyl-1-butanol 543.08
    n-decane 22.7
    butyronitrile 730.46
    3,7-dimethyl-1-octanol 217.17
    1-chlorooctane 119.93
    1-chlorotetradecane 42.03
    n-nonane 22.92
    undecane 15.51
    tert-butylcyclohexane 50.94
    cyclooctane 35.57
    cyclopentanol 577.74
    tetrahydropyran 1752.56
    tert-amyl methyl ether 437.63
    2,5,8-trioxanonane 572.77
    1-hexene 353.49
    2-isopropoxyethanol 443.31
    2,2,2-trifluoroethanol 115.05
    methyl butyrate 516.73

    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
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.02%
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.17%
Fissitigma shangtzeense, flower extract Fissitigma shangtzeense Tsiang et P.T. Li, fam. Annonaceae 0.05%
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 9.4%
Geranium (Algeria) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.57%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 12.39%
Geranium, Bourbon 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.75%
Geranium, Bourbon 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 10.17%
Geranium, Bourbon 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.94%
Geranium, Bourbon 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 8.37%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 17.45%
Geranium (China) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 11.35%
Geranium (China, Yunnan) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaciae 11.73%
Geranium (China, Yunnan) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 8.22%
Geranium (China, Yunnan) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 10.81%
Geranium (China, Yunnan) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 11.78%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.43%
Geranium (Egypt) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 6.74%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.64%
Geranium (Morocco) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 6.02%
Lovage headspace 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 1.34%
Skimmia laureola (India) 1 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 0.65%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.09%
Mandarin leaf (Petitgrain mandarin.) (Israel) 5 Citrus reticulata Blanco, cultivar Clementine, Rutaceae 2.56%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.65%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.01%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.71%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.05%
Geranium (India) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.14%
Geranium, Bourbon 8 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.88%
Geranium (India) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 9.0%
Geranium (India) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 8.21%
Geranium (India) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.64%
Geranium (India) 7 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 4.84%
Geranium, Bourbon 9 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 4.3%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Geranium, Bourbon 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 12.39%
Geranium, Bourbon 7 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.2%
Geranium 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 8.4%
Geranium (China) 3 8000-46-3 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 11.5%
Geranium (Egypt) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.0%
Geranium 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.88%
Geranium, Bourbon 10 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.8%
Geranium (Madagascar) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.9%
Geranium (India) 8 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 7.35%
Geranium (Egypt) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 6.71%
Geranium (China, Yunnan) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 11.84%
Geranium (China, Beijing) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 12.23%
Geranium (China, Chengdu) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 9.79%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%