Linalyl propionate

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  • Identifiers

    CAS number
    144-39-8

    Molecular formula
    C13H22O2

    SMILES
    CCC(=O)OC(C)(CCC=C(C)C)C=C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1335.0
    • Carbowax: 1596.5

  • Odor profile

    Fruity 85.08%
    Sweet 78.07%
    Floral 77.81%
    Citrus 65.76%
    Woody 59.57%
    Rose 59.27%
    Bergamot 57.66%
    Green 55.17%
    Fresh 53.4%
    Tropical 47.28%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 115.00 °C. @ 10.00 mm Hg

    Flash point est.
    101.4 ˚C

    Solubility expt.

    • 17 mg/L @ 20 °C (exp)
    • soluble in alcohol and most fixed oils; slightly soluble in propylene glycol; insoluble in glycerol
    • 1 ml in 7 ml 70% alcohol; 1 ml in 2 ml 80% alcohol (in ethanol)

  • Synonyms

    • Linalyl propionate
    • 144-39-8
    • 3,7-dimethylocta-1,6-dien-3-yl propanoate
    • Linalyl propanoate
    • Linalool propionate
    • 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate
    • Linalyl n-propionate
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate
    • Propionic acid, linalyl ester
    • FEMA No. 2645
    • EINECS 205-627-5
    • EINECS 305-130-4
    • 3,7-Dimethyl-1,6-octadien-3-yl propionate
    • NSC 46139
    • UNII-BI845A018T
    • DTXSID1047574
    • AI3-24353
    • 3,7-dimethylocta-1,6-dien-3-yl propionate
    • 3,7-Dimethyl-1,6-octadien-3-ol propanoate
    • 3,7-Dimethyl-1,6-octadien-3-yl propanoate
    • NSC-46139
    • DTXCID9027574
    • LINALYL PROPIONATE [FCC]
    • FEMA 2645
    • LINALYL PROPIONATE [FHFI]
    • (1)-1,5-Dimethyl-1-vinylhex-4-enyl propionate
    • BI845A018T
    • (+/-)-LINALYL PROPIONATE
    • 1,5-Dimethyl-1-vinyl-4-hexenyl propionate
    • Propionic Acid Linalyl Ester
    • MFCD00048607
    • Propionic acid, linalyl ester (6CI)
    • Linalyl propionic acid
    • SCHEMBL538489
    • CHEMBL3186660
    • 1, 3,7-dimethyl-, propanoate
    • 1, 3,7-dimethyl-, propionate
    • CHEBI:174062
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate (7CI,8CI)
    • NSC46139
    • Tox21_302590
    • BBL028020
    • STL372904
    • AKOS015955727
    • Linalyl propionate, >=95%, FCC, FG
    • NCGC00256878-01
    • CAS-144-39-8
    • VS-08647
    • DB-042731
    • CS-0318525
    • L0265
    • NS00012799
    • 1,5-Dimethyl-1-vinyl-4-hexenyl propionate #
    • D91259
    • 3,7-Dimethylocta-1,6-dien-3-yl propanoic acid
    • Q27274686
    • 205-627-5

  • Applications

    Linalyl propionate (CAS 144-39-8) is a naturally occurring fruity-floral ester broadly employed by the fragrance, flavor and wellness industries to impart fresh lavender, bergamot and leafy nuances to fine perfumes, soaps, shampoos, shower gels, deodorants, skin-care cosmetics, scented candles and diffuser oils; it is also incorporated as a flavouring in confectionery, baked goods and low-alcohol beverages where it rounds off citrus profiles and acts as a modifier that stabilises, prolongs and smooths the overall sensory impression; in aromatherapy and cosmeceutical products the molecule is appreciated for its gentle calming, stress-relief and sleep-support qualities; thanks to its medium volatility, good solvent compatibility, low toxicity and ready biodegradability, Linalyl propionate is a versatile, globally accepted ingredient for personal-care formulations, household cleaners and aerosol sprays.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1276.36
    methanol 1187.29
    isopropanol 1310.53
    water 0.51
    ethyl acetate 1139.27
    n-propanol 1134.22
    acetone 920.67
    n-butanol 1309.68
    acetonitrile 565.94
    DMF 1114.24
    toluene 960.68
    isobutanol 1134.25
    1,4-dioxane 1762.84
    methyl acetate 811.93
    THF 2232.28
    2-butanone 1017.76
    n-pentanol 1172.76
    sec-butanol 1537.7
    n-hexane 712.78
    ethylene glycol 89.61
    NMP 1236.13
    cyclohexane 714.71
    DMSO 719.8
    n-butyl acetate 1225.06
    n-octanol 809.19
    chloroform 2949.22
    n-propyl acetate 726.53
    acetic acid 615.44
    dichloromethane 1977.29
    cyclohexanone 1698.93
    propylene glycol 262.3
    isopropyl acetate 921.9
    DMAc 1470.78
    2-ethoxyethanol 812.88
    isopentanol 1438.49
    n-heptane 291.74
    ethyl formate 529.63
    1,2-dichloroethane 1125.98
    n-hexanol 1701.68
    2-methoxyethanol 1009.68
    isobutyl acetate 607.28
    tetrachloromethane 464.78
    n-pentyl acetate 800.76
    transcutol 2365.53
    n-heptanol 661.55
    ethylbenzene 742.27
    MIBK 772.55
    2-propoxyethanol 1352.95
    tert-butanol 1959.86
    MTBE 2103.97
    2-butoxyethanol 702.22
    propionic acid 557.78
    o-xylene 675.57
    formic acid 138.48
    diethyl ether 1479.86
    m-xylene 744.53
    p-xylene 897.72
    chlorobenzene 816.66
    dimethyl carbonate 250.22
    n-octane 138.21
    formamide 164.42
    cyclopentanone 1211.72
    2-pentanone 983.9
    anisole 869.17
    cyclopentyl methyl ether 1407.01
    gamma-butyrolactone 1174.29
    1-methoxy-2-propanol 951.21
    pyridine 1038.13
    3-pentanone 738.82
    furfural 910.17
    n-dodecane 106.45
    diethylene glycol 606.28
    diisopropyl ether 649.18
    tert-amyl alcohol 2014.01
    acetylacetone 850.89
    n-hexadecane 120.16
    acetophenone 700.65
    methyl propionate 671.62
    isopentyl acetate 1201.34
    trichloroethylene 1980.76
    n-nonanol 681.82
    cyclohexanol 1559.77
    benzyl alcohol 647.93
    2-ethylhexanol 995.74
    isooctanol 534.12
    dipropyl ether 827.37
    1,2-dichlorobenzene 769.27
    ethyl lactate 304.6
    propylene carbonate 819.92
    n-methylformamide 370.11
    2-pentanol 1232.44
    n-pentane 438.67
    1-propoxy-2-propanol 1048.83
    1-methoxy-2-propyl acetate 888.8
    2-(2-methoxypropoxy) propanol 789.77
    mesitylene 469.26
    ε-caprolactone 1549.48
    p-cymene 383.31
    epichlorohydrin 1413.01
    1,1,1-trichloroethane 1534.63
    2-aminoethanol 303.59
    morpholine-4-carbaldehyde 1333.52
    sulfolane 1162.46
    2,2,4-trimethylpentane 254.19
    2-methyltetrahydrofuran 2182.5
    n-hexyl acetate 1335.1
    isooctane 182.84
    2-(2-butoxyethoxy)ethanol 983.98
    sec-butyl acetate 671.31
    tert-butyl acetate 1038.11
    decalin 330.59
    glycerin 278.18
    diglyme 1447.82
    acrylic acid 343.96
    isopropyl myristate 493.32
    n-butyric acid 1110.13
    acetyl acetate 629.94
    di(2-ethylhexyl) phthalate 413.43
    ethyl propionate 665.71
    nitromethane 667.91
    1,2-diethoxyethane 1165.25
    benzonitrile 751.28
    trioctyl phosphate 306.49
    1-bromopropane 1286.38
    gamma-valerolactone 1524.14
    n-decanol 484.83
    triethyl phosphate 330.57
    4-methyl-2-pentanol 766.51
    propionitrile 705.48
    vinylene carbonate 726.43
    1,1,2-trichlorotrifluoroethane 870.57
    DMS 628.15
    cumene 470.57
    2-octanol 598.54
    2-hexanone 881.33
    octyl acetate 616.74
    limonene 676.48
    1,2-dimethoxyethane 1484.38
    ethyl orthosilicate 361.36
    tributyl phosphate 401.65
    diacetone alcohol 891.01
    N,N-dimethylaniline 682.69
    acrylonitrile 539.23
    aniline 709.06
    1,3-propanediol 563.02
    bromobenzene 949.85
    dibromomethane 1636.13
    1,1,2,2-tetrachloroethane 1922.98
    2-methyl-cyclohexyl acetate 725.32
    tetrabutyl urea 472.87
    diisobutyl methanol 465.27
    2-phenylethanol 809.76
    styrene 766.66
    dioctyl adipate 596.7
    dimethyl sulfate 353.39
    ethyl butyrate 730.74
    methyl lactate 307.84
    butyl lactate 499.44
    diethyl carbonate 480.76
    propanediol butyl ether 690.06
    triethyl orthoformate 529.37
    p-tert-butyltoluene 378.75
    methyl 4-tert-butylbenzoate 674.11
    morpholine 1946.66
    tert-butylamine 1561.5
    n-dodecanol 363.52
    dimethoxymethane 816.09
    ethylene carbonate 656.28
    cyrene 563.9
    2-ethoxyethyl acetate 767.76
    2-ethylhexyl acetate 1008.02
    1,2,4-trichlorobenzene 895.73
    4-methylpyridine 1537.44
    dibutyl ether 974.8
    2,6-dimethyl-4-heptanol 465.27
    DEF 1104.15
    dimethyl isosorbide 1128.96
    tetrachloroethylene 1122.58
    eugenol 588.44
    triacetin 797.42
    span 80 788.21
    1,4-butanediol 286.55
    1,1-dichloroethane 1562.38
    2-methyl-1-pentanol 1284.7
    methyl formate 287.34
    2-methyl-1-butanol 1371.32
    n-decane 186.19
    butyronitrile 1049.21
    3,7-dimethyl-1-octanol 805.86
    1-chlorooctane 585.35
    1-chlorotetradecane 234.04
    n-nonane 197.15
    undecane 135.46
    tert-butylcyclohexane 338.35
    cyclooctane 242.81
    cyclopentanol 1067.75
    tetrahydropyran 2281.99
    tert-amyl methyl ether 1551.79
    2,5,8-trioxanonane 1019.45
    1-hexene 1385.31
    2-isopropoxyethanol 731.38
    2,2,2-trifluoroethanol 156.04
    methyl butyrate 869.55

    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 (Italy, Calabria) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.03%
Bergamot (Italy, Calabria) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Bergamot (Italy, Calabria) 5 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.03%
Lanyana (Zimbabwe) Artemisia afra Jacq., fam. Asteraceae (Compositae) 4.96%
Bitter orange leaf (Petitgrain) (Italy) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.03%
Lemon leaf (petitgrain) (China) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.36%
Bergamot (Italy) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Tanacetum parthenium (The Netherlands) Tanacetum parthenium (L.) Schultz-Bip. (Feverfew), Asteraceae (Compositae) 0.01%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.12%
Rosemary (Morocco) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Bergamot (Uruguay) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Turmeric (China) 3 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.01%
Turmeric (India) 5b leaf 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 1.1%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.04%
Wartara (India) 3 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam Rutaceae 0.1%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.2%
Origanum glandulosum (Algeria) Origanum glandulosum Desf., fam. Lamiaceae (Labiatae) 0.2%
Bergamot (Italy, Sicily) 1a Castagnaro 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Bergamot (Italy, Sicily) 1b Fantastico 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Bergamot (Italy, Sicily) 1c Feminello 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Bergamot (Italy, Sicily) 1d PCF 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Bergamot (Italy, Calabria) 8 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.04%
Murraya koenigii (India) Murraya koenigii (L.) Spreng., fam. Rutaceae 0.01%
Thyme (Italy) 9 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 2.7%