Linalyl formate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    115-99-1

    Molecular formula
    C11H18O2

    SMILES
    CC(=CCCC(C)(C=C)OC=O)C

    Retention indicies (RI)

    • Carbowax: 1570.0

  • Odor profile

    Citrus 70.93%
    Green 66.73%
    Floral 61.94%
    Fresh 61.16%
    Fruity 59.55%
    Herbal 58.59%
    Woody 57.36%
    Bergamot 53.83%
    Sweet 51.79%
    Lavender 48.19%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 100.00 to 103.00 °C. @ 10.00 mm Hg

    Flash point est.
    88.88 ˚C

    Solubility expt.

    • soluble in alcohol, most fixed oils; slightly soluble in propylene glycol and water; insoluble in glycerol
    • 1 ml in 6 ml 70% alcohol (in ethanol)

  • Synonyms

    • Linalyl formate
    • 115-99-1
    • Linalool formate
    • 3,7-dimethylocta-1,6-dien-3-yl formate
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-formate
    • 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, FORMATE
    • Linalool, formate
    • LINOLOOL, FORMATE
    • 3,7-Dimethyl-1,6-octadien-3-yl formate
    • FEMA No. 2642
    • 3,7-Dimethyl-1,6-octadien-3-ol formate
    • EINECS 204-120-6
    • UNII-3V67WH3R5N
    • NSC 46116
    • DTXSID2047642
    • AI3-24241
    • NSC-46116
    • LINALYL FORMATE [FCC]
    • LINALYL FORMATE [FHFI]
    • 3V67WH3R5N
    • DTXCID0027642
    • FEMA 2642
    • Linalool formate (6CI)
    • Linalyl formic acid
    • Linalyl formate, FCC
    • SCHEMBL135163
    • 1, 3,7-dimethyl-, formate
    • CHEMBL3185940
    • CHEBI:195882
    • NSC46116
    • Tox21_303366
    • NCGC00257272-01
    • 3,7-dimethylocta-1,6-dien-3-yl ormate
    • AS-85286
    • CAS-115-99-1
    • 1,5-Dimethyl-1-vinyl-4-hexenyl formate #
    • DB-041300
    • NS00012794
    • 3,7-Dimethylocta-1,6-dien-3-yl formic acid
    • G77637
    • formic acid 1,5-dimethyl-1-vinyl-hex-4-enyl ester
    • Q27258072
    • 204-120-6

  • Applications

    Linalyl formate (CAS 115-99-1) is the fragrant formate ester of linalool with a fruity–floral, lavender/bergamot-like odor, widely used in perfumery to build and fine-tune top-to-heart notes in citrus, neroli, lavender, fougère and chypre accords; it enhances diffusion, smooths sharp aldehydes, and adds naturalness and roundness in fine fragrances as well as in personal care (shampoos, body washes, lotions), detergents and home-care products (fabric softeners, air fresheners, candles); at trace levels it can also act as a flavoring ingredient to impart pear–citrus nuances to confectionery, baked goods and beverages; being a natural constituent of lavender and some other essential oils, it is useful for standardizing or reinforcing natural aroma profiles; technically, it is sparingly soluble in water but readily soluble in alcohols/organic solvents and oils, relatively stable under neutral to slightly acidic conditions yet prone to hydrolysis under strong alkaline conditions or prolonged heat/light, thus it should be stored tightly closed, away from heat and light, and used in compliance with IFRA guidance and local regulations for each application.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 570.19
    methanol 576.19
    isopropanol 402.31
    water 0.62
    ethyl acetate 415.15
    n-propanol 375.81
    acetone 279.55
    n-butanol 396.81
    acetonitrile 205.61
    DMF 331.17
    toluene 251.21
    isobutanol 251.05
    1,4-dioxane 863.85
    methyl acetate 299.01
    THF 914.28
    2-butanone 302.5
    n-pentanol 264.78
    sec-butanol 347.79
    n-hexane 63.25
    ethylene glycol 50.93
    NMP 341.21
    cyclohexane 113.64
    DMSO 238.93
    n-butyl acetate 321.98
    n-octanol 143.87
    chloroform 908.12
    n-propyl acetate 221.8
    acetic acid 263.69
    dichloromethane 617.78
    cyclohexanone 457.81
    propylene glycol 117.06
    isopropyl acetate 274.12
    DMAc 433.14
    2-ethoxyethanol 310.67
    isopentanol 336.54
    n-heptane 37.19
    ethyl formate 177.71
    1,2-dichloroethane 358.52
    n-hexanol 390.44
    2-methoxyethanol 491.47
    isobutyl acetate 162.63
    tetrachloromethane 118.03
    n-pentyl acetate 166.25
    transcutol 1191.45
    n-heptanol 132.58
    ethylbenzene 149.99
    MIBK 199.12
    2-propoxyethanol 479.54
    tert-butanol 563.2
    MTBE 483.96
    2-butoxyethanol 216.33
    propionic acid 205.95
    o-xylene 161.69
    formic acid 93.56
    diethyl ether 458.19
    m-xylene 194.18
    p-xylene 182.91
    chlorobenzene 247.67
    dimethyl carbonate 89.18
    n-octane 15.38
    formamide 115.47
    cyclopentanone 378.75
    2-pentanone 279.88
    anisole 273.57
    cyclopentyl methyl ether 413.32
    gamma-butyrolactone 373.72
    1-methoxy-2-propanol 388.2
    pyridine 431.43
    3-pentanone 207.67
    furfural 361.85
    n-dodecane 14.71
    diethylene glycol 250.74
    diisopropyl ether 145.16
    tert-amyl alcohol 459.68
    acetylacetone 269.43
    n-hexadecane 16.73
    acetophenone 209.81
    methyl propionate 236.77
    isopentyl acetate 304.68
    trichloroethylene 663.19
    n-nonanol 132.41
    cyclohexanol 367.52
    benzyl alcohol 195.8
    2-ethylhexanol 211.5
    isooctanol 106.86
    dipropyl ether 214.36
    1,2-dichlorobenzene 231.1
    ethyl lactate 105.15
    propylene carbonate 249.44
    n-methylformamide 146.84
    2-pentanol 282.9
    n-pentane 57.05
    1-propoxy-2-propanol 333.79
    1-methoxy-2-propyl acetate 331.9
    2-(2-methoxypropoxy) propanol 289.04
    mesitylene 120.82
    ε-caprolactone 430.32
    p-cymene 95.62
    epichlorohydrin 538.12
    1,1,1-trichloroethane 441.41
    2-aminoethanol 153.18
    morpholine-4-carbaldehyde 467.79
    sulfolane 348.77
    2,2,4-trimethylpentane 39.22
    2-methyltetrahydrofuran 715.87
    n-hexyl acetate 277.37
    isooctane 30.05
    2-(2-butoxyethoxy)ethanol 356.45
    sec-butyl acetate 198.6
    tert-butyl acetate 304.88
    decalin 57.68
    glycerin 132.82
    diglyme 583.32
    acrylic acid 141.15
    isopropyl myristate 116.31
    n-butyric acid 353.75
    acetyl acetate 235.92
    di(2-ethylhexyl) phthalate 117.28
    ethyl propionate 208.14
    nitromethane 287.61
    1,2-diethoxyethane 400.33
    benzonitrile 219.63
    trioctyl phosphate 74.21
    1-bromopropane 290.26
    gamma-valerolactone 525.13
    n-decanol 97.46
    triethyl phosphate 118.03
    4-methyl-2-pentanol 173.32
    propionitrile 222.23
    vinylene carbonate 236.69
    1,1,2-trichlorotrifluoroethane 319.0
    DMS 200.15
    cumene 106.44
    2-octanol 95.59
    2-hexanone 229.55
    octyl acetate 139.79
    limonene 153.84
    1,2-dimethoxyethane 547.85
    ethyl orthosilicate 125.73
    tributyl phosphate 101.56
    diacetone alcohol 294.24
    N,N-dimethylaniline 187.13
    acrylonitrile 198.94
    aniline 261.99
    1,3-propanediol 239.75
    bromobenzene 260.65
    dibromomethane 437.58
    1,1,2,2-tetrachloroethane 615.43
    2-methyl-cyclohexyl acetate 218.66
    tetrabutyl urea 121.23
    diisobutyl methanol 119.53
    2-phenylethanol 238.49
    styrene 170.33
    dioctyl adipate 167.84
    dimethyl sulfate 111.39
    ethyl butyrate 228.06
    methyl lactate 112.14
    butyl lactate 132.03
    diethyl carbonate 164.62
    propanediol butyl ether 196.67
    triethyl orthoformate 180.89
    p-tert-butyltoluene 98.68
    methyl 4-tert-butylbenzoate 200.65
    morpholine 975.01
    tert-butylamine 383.55
    n-dodecanol 74.78
    dimethoxymethane 317.56
    ethylene carbonate 211.51
    cyrene 206.9
    2-ethoxyethyl acetate 244.31
    2-ethylhexyl acetate 254.05
    1,2,4-trichlorobenzene 279.48
    4-methylpyridine 461.85
    dibutyl ether 191.57
    2,6-dimethyl-4-heptanol 119.53
    DEF 317.39
    dimethyl isosorbide 446.85
    tetrachloroethylene 370.46
    eugenol 194.34
    triacetin 246.41
    span 80 243.7
    1,4-butanediol 85.26
    1,1-dichloroethane 435.32
    2-methyl-1-pentanol 257.03
    methyl formate 104.25
    2-methyl-1-butanol 290.26
    n-decane 24.64
    butyronitrile 270.36
    3,7-dimethyl-1-octanol 166.64
    1-chlorooctane 97.93
    1-chlorotetradecane 42.92
    n-nonane 22.41
    undecane 18.45
    tert-butylcyclohexane 55.61
    cyclooctane 35.71
    cyclopentanol 266.59
    tetrahydropyran 827.52
    tert-amyl methyl ether 352.82
    2,5,8-trioxanonane 421.49
    1-hexene 198.53
    2-isopropoxyethanol 225.52
    2,2,2-trifluoroethanol 71.7
    methyl butyrate 251.9

    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
Orange leaf, sweet (Mauritius) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.44%
Bergamot (Turkey) 3c yellow fruit 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.1%
Bergamot (Turkey) 3a green fruit 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.1%
Bergamot (Turkey) 3b green/yellow fruit 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.1%
Murraya koenigii (India) Murraya koenigii (L.) Spreng., fam. Rutaceae 0.01%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.21%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.27%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.17%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.13%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.31%