Neryl propionate

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  • Identifiers

    CAS number
    105-91-9

    Molecular formula
    C13H22O2

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

    Retention indicies (RI)

    • DB5: 1454.0
    • Carbowax: 1775.0

  • Odor profile

    Fragrance
    Fruity 88.63%
    Floral 84.04%
    Rose 81.3%
    Sweet 78.66%
    Green 75.95%
    Citrus 64.55%
    Waxy 63.64%
    Tropical 59.53%
    Geranium 53.14%
    Apple 49.31%

     

    Flavor
    Rose 68.07%
    Bitter 62.28%
    Green 61.94%
    Fruity 60.58%
    Floral 55.7%
    Waxy 49.05%
    Sweet 48.44%
    Geranium 42.02%
    Tropical 38.88%
    Fruit 37.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.92 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 233.00 °C. @ 760.00 mm Hg

    Flash point

    • 111.74 ˚C est.

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohol
    • 1 ml in 15 ml 70% alcohol (in ethanol)

  • Synonyms

    • Neryl propionate
    • Neryl propanoate
    • 105-91-9
    • Propionic acid, neryl ester
    • FEMA No. 2777
    • Neryl propionate (natural)
    • [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
    • cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate
    • UNII-FAS39QE02Z
    • 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-
    • EINECS 203-345-7
    • FAS39QE02Z
    • Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-
    • 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-
    • 3,7-Dimethyl-2,6-octadienyl propionate, (Z)-
    • 3,7-Dimethyl-2,6-octadien-1-yl propanoate, cis-
    • 3,7-Dimethyl-2,6-octadien-1-yl propionate, cis-
    • NERYL PROPIONATE [FHFI]
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-
    • FEMA 2777
    • DTXSID90883167
    • (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate
    • (Z)-3,7-Dimethyl-2,6-octadienyl propanoate
    • (Z)-3,7-Dimethyl-2,6-octadienyl propionate
    • 3,7-Dimethyl-propanoate(Z)-2,6-Octadien-1-ol
    • 3,7-Dimethyl-propionate(Z)-2,6-Octadien-1-ol
    • cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate
    • cis-3,7-Dimethyl-2,6-octadien-1-yl propionate
    • 3,7-Dimethyl-propanoate(2Z)-2,6-Octadien-1-ol
    • 3,7-Dimethyl-1-propanoate(2Z)-2,6-Octadien-1-ol
    • (Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL PROPANOATE
    • 2,6-Octadien-1-ol,3,7-dimethyl-, 1-propanoate, (2Z)-
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-
    • ((2Z)-3,7-dimethylocta-2,6-dienyl) propanoate
    • Neryl propionic acid
    • Geranyl propionic acid
    • SCHEMBL1532465
    • CHEBI:174072
    • DTXCID001022724
    • LMFA07010976
    • AKOS015901976
    • (2Z)-3,7-Dimethyl-2,6-octadienyl propionate #
    • Q27277892
    • 203-345-7

  • Applications

    Neryl propionate (CAS 105-91-9) is primarily used as a fragrance ingredient in perfumery and cosmetics, delivering floral and green notes typical of nerol esters. It is commonly employed in perfume formulations and as a fixative to improve fragrance longevity. It may be used in flavor formulations to convey floral notes, and in household products such as detergents and cleaners to impart a light, fresh scent. It can also serve as an intermediate in fragrance synthesis or as a raw material for aroma chemicals, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1291.93
    methanol 1070.32
    isopropanol 942.86
    water 0.27
    ethyl acetate 1031.29
    n-propanol 804.68
    acetone 700.46
    n-butanol 932.77
    acetonitrile 626.48
    DMF 428.27
    toluene 541.8
    isobutanol 560.71
    1,4-dioxane 1824.67
    methyl acetate 598.22
    THF 1745.55
    2-butanone 708.16
    n-pentanol 737.09
    sec-butanol 935.35
    n-hexane 288.6
    ethylene glycol 52.12
    NMP 462.88
    cyclohexane 352.91
    DMSO 497.13
    n-butyl acetate 737.64
    n-octanol 286.19
    chloroform 2257.98
    n-propyl acetate 601.67
    acetic acid 571.21
    dichloromethane 1667.04
    cyclohexanone 966.9
    propylene glycol 173.06
    isopropyl acetate 654.33
    DMAc 632.77
    2-ethoxyethanol 770.6
    isopentanol 826.41
    n-heptane 101.04
    ethyl formate 355.71
    1,2-dichloroethane 890.19
    n-hexanol 750.18
    2-methoxyethanol 927.46
    isobutyl acetate 401.21
    tetrachloromethane 295.51
    n-pentyl acetate 415.23
    transcutol 2700.88
    n-heptanol 291.89
    ethylbenzene 355.61
    MIBK 446.84
    2-propoxyethanol 804.5
    tert-butanol 1288.42
    MTBE 1353.94
    2-butoxyethanol 472.7
    propionic acid 382.31
    o-xylene 315.72
    formic acid 119.13
    diethyl ether 1396.41
    m-xylene 336.94
    p-xylene 447.22
    chlorobenzene 496.72
    dimethyl carbonate 113.57
    n-octane 37.02
    formamide 186.31
    cyclopentanone 645.08
    2-pentanone 680.57
    anisole 566.4
    cyclopentyl methyl ether 857.54
    gamma-butyrolactone 610.36
    1-methoxy-2-propanol 688.08
    pyridine 1002.1
    3-pentanone 449.01
    furfural 609.83
    n-dodecane 25.88
    diethylene glycol 344.59
    diisopropyl ether 376.1
    tert-amyl alcohol 1160.63
    acetylacetone 575.35
    n-hexadecane 30.04
    acetophenone 428.81
    methyl propionate 423.32
    isopentyl acetate 685.46
    trichloroethylene 1607.87
    n-nonanol 271.07
    cyclohexanol 770.04
    benzyl alcohol 416.08
    2-ethylhexanol 459.98
    isooctanol 243.51
    dipropyl ether 549.26
    1,2-dichlorobenzene 433.83
    ethyl lactate 200.59
    propylene carbonate 437.8
    n-methylformamide 200.03
    2-pentanol 729.1
    n-pentane 171.49
    1-propoxy-2-propanol 623.95
    1-methoxy-2-propyl acetate 586.52
    2-(2-methoxypropoxy) propanol 520.36
    mesitylene 213.74
    ε-caprolactone 846.1
    p-cymene 180.69
    epichlorohydrin 1043.16
    1,1,1-trichloroethane 1037.77
    2-aminoethanol 228.22
    morpholine-4-carbaldehyde 745.67
    sulfolane 570.9
    2,2,4-trimethylpentane 93.24
    2-methyltetrahydrofuran 1571.28
    n-hexyl acetate 615.89
    isooctane 63.88
    2-(2-butoxyethoxy)ethanol 723.87
    sec-butyl acetate 504.21
    tert-butyl acetate 683.36
    decalin 153.67
    glycerin 176.71
    diglyme 1180.78
    acrylic acid 227.66
    isopropyl myristate 215.79
    n-butyric acid 795.56
    acetyl acetate 511.03
    di(2-ethylhexyl) phthalate 202.01
    ethyl propionate 484.78
    nitromethane 583.11
    1,2-diethoxyethane 1030.75
    benzonitrile 467.32
    trioctyl phosphate 127.8
    1-bromopropane 826.15
    gamma-valerolactone 935.22
    n-decanol 191.09
    triethyl phosphate 214.61
    4-methyl-2-pentanol 390.62
    propionitrile 506.76
    vinylene carbonate 378.31
    1,1,2-trichlorotrifluoroethane 583.13
    DMS 328.73
    cumene 234.83
    2-octanol 215.25
    2-hexanone 603.17
    octyl acetate 264.06
    limonene 305.73
    1,2-dimethoxyethane 1338.85
    ethyl orthosilicate 243.77
    tributyl phosphate 183.04
    diacetone alcohol 567.59
    N,N-dimethylaniline 356.25
    acrylonitrile 404.7
    aniline 528.42
    1,3-propanediol 448.23
    bromobenzene 562.32
    dibromomethane 1227.33
    1,1,2,2-tetrachloroethane 1459.25
    2-methyl-cyclohexyl acetate 434.17
    tetrabutyl urea 205.07
    diisobutyl methanol 228.2
    2-phenylethanol 430.69
    styrene 439.45
    dioctyl adipate 324.7
    dimethyl sulfate 148.9
    ethyl butyrate 554.21
    methyl lactate 150.22
    butyl lactate 267.35
    diethyl carbonate 327.94
    propanediol butyl ether 390.29
    triethyl orthoformate 380.18
    p-tert-butyltoluene 171.93
    methyl 4-tert-butylbenzoate 351.64
    morpholine 2083.36
    tert-butylamine 938.52
    n-dodecanol 140.32
    dimethoxymethane 481.71
    ethylene carbonate 353.91
    cyrene 346.34
    2-ethoxyethyl acetate 529.16
    2-ethylhexyl acetate 554.42
    1,2,4-trichlorobenzene 534.56
    4-methylpyridine 1009.39
    dibutyl ether 523.09
    2,6-dimethyl-4-heptanol 228.2
    DEF 644.51
    dimethyl isosorbide 727.97
    tetrachloroethylene 871.78
    eugenol 338.88
    triacetin 470.17
    span 80 470.66
    1,4-butanediol 172.85
    1,1-dichloroethane 1102.02
    2-methyl-1-pentanol 705.44
    methyl formate 127.62
    2-methyl-1-butanol 730.2
    n-decane 52.02
    butyronitrile 752.15
    3,7-dimethyl-1-octanol 332.48
    1-chlorooctane 217.65
    1-chlorotetradecane 79.99
    n-nonane 50.85
    undecane 34.7
    tert-butylcyclohexane 139.09
    cyclooctane 98.54
    cyclopentanol 484.77
    tetrahydropyran 2028.33
    tert-amyl methyl ether 886.54
    2,5,8-trioxanonane 768.91
    1-hexene 776.47
    2-isopropoxyethanol 566.71
    2,2,2-trifluoroethanol 109.91
    methyl butyrate 655.78

    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
Cymbopogon distans 1 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 1), fam. Poaceae (Gramineae) 2.4%
Helichrysum italicum (Yugoslavia) 8023-95-8 Helichrysum italicum (Roth) G. Don (H. angustifolium D.C.), fam.Asteraceae 1.2%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.6%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.14%
Scullcap Scutellaria lateriflora L., fam. Lamiaceae (Labiatae) 0.2%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Lemon (USA-California) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 8 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%
Helichrysum italicum 1a 8023-95-8 Helichrysum italicum (Roth) G. Don ssp. italicum, fam. Asteraceae 6.53%
Helichrysum italicum 1b 8023-95-8 Helichrysum italicum ssp. microphyllum (Willd.) Nyman, fam. Asteraceae 1.76%
Helichrysum italicum (Italy-Sardinia) 8023-95-8 Helichrysum italicum (Roth) G. Don ssp. microphylum (Willd.) Nyman, Aster. 5.75%
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 5.8%