Terpinyl propionate

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  • Identifiers

    CAS number
    80-27-3

    Molecular formula
    C13H22O2

    SMILES
    CCC(=O)OC(C)(C)C1CCC(=CC1)C

    Retention indicies (RI)

    • Carbowax: 1752.5

  • Odor profile

    Fruity 79.9%
    Floral 71.95%
    Herbal 68.83%
    Sweet 63.4%
    Woody 60.81%
    Citrus 58.86%
    Spicy 57.42%
    Green 52.74%
    Rose 43.44%
    Bergamot 42.72%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.53 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 274.00 to 275.00 °C. @ 760.00 mm Hg

    Flash point est.
    106.52 ˚C

    Solubility expt.

    • soluble in glycerol; slightly soluble in propylene glycol; insoluble in water; miscible with alcohol, chloroform, ether, most fixed oils
    • 1 ml in 2 ml 80% alcohol (in ethanol)

  • Synonyms

    • Terpinyl propionate
    • 80-27-3
    • Terpineol propionate
    • Terpineol, propanoate
    • p-Menthanyl propionate
    • alpha-Terpinyl propionate
    • p-Menth-1-en-8-yl propionate
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate
    • p-Menth-1-en-8-yl propanoate
    • Propionic acid, terpineol ester
    • .alpha.-Terpinyl propionate
    • FEMA No. 3053
    • alpha-Terpineol propanoate
    • 62395-45-3
    • EINECS 201-266-2
    • EINECS 263-530-3
    • 7JE9M43B3K
    • Terpinyl n-propionate
    • DTXSID3044833
    • AI3-24377
    • 3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, PROPANOATE
    • alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate
    • 3GKH6X9TE3
    • MENTHEN-1-YL-8-ATE
    • DTXCID1024833
    • 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propanoate
    • 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate
    • 4-Terpinenyl ester of propanoic acid
    • P-MENTH-1-EN-8-OL PROPIONATE
    • FEMA NO. 3053, .ALPHA.-
    • TERPINYLPROPIONATE
    • 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-propanoate
    • 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-propanoate
    • UNII-3GKH6X9TE3
    • UNII-7JE9M43B3K
    • p-menth-1-en-8-yl-propionate
    • Terpinylpropionat
    • Terpenyl propionate
    • a-Terpineol propanoate
    • Terpinyl propionate FCC
    • alpha -terpinyl propionate
    • SCHEMBL129843
    • CHEMBL3188389
    • FEMA 3053
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl propionate
    • CHEBI:174065
    • DTXSID901060705
    • TERPINYL PROPIONATE [FHFI]
    • FEMA NO. 3053, ALPHA-
    • Tox21_301775
    • alpha -terpinyl ester of propanoic acid
    • CAS-80-27-3
    • .alpha.-Terpinyl ester of propanoic acid
    • NCGC00256174-01
    • DB-253747
    • NS00013201
    • E79720
    • Q27268406
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propionate
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl propionate #
    • Alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol 1-propanoate
    • 263-530-3

  • Applications

    Terpinyl propionate (CAS 80-27-3) is a fruity-floral ester with citrus and pine facets used mainly as a fragrance ingredient across fine fragrances and colognes, soaps, detergents, personal care, deodorants, air-care sprays and diffusers, and candles; it brightens citrus, lavender, fougère and woody accords, rounds and extends top-to-heart notes, and helps mask base-note off-odors in household formulations; commonly employed as a blender/booster to add clean pear–pineapple freshness in fabric and surface care; soluble in alcohol and perfume oils (insoluble in water) for easy incorporation into soap and surfactant bases; in some regions it is also used at trace levels as a food flavoring (e.g., beverages, confectionery, chewing gum) subject to local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1035.9
    methanol 1010.65
    isopropanol 1213.28
    water 1.42
    ethyl acetate 782.78
    n-propanol 905.43
    acetone 768.41
    n-butanol 909.27
    acetonitrile 733.76
    DMF 934.27
    toluene 791.47
    isobutanol 845.07
    1,4-dioxane 1664.68
    methyl acetate 698.52
    THF 1702.86
    2-butanone 754.41
    n-pentanol 656.18
    sec-butanol 985.32
    n-hexane 216.58
    ethylene glycol 104.49
    NMP 874.55
    cyclohexane 372.43
    DMSO 577.89
    n-butyl acetate 743.84
    n-octanol 495.49
    chloroform 3117.07
    n-propyl acetate 452.99
    acetic acid 535.02
    dichloromethane 2072.16
    cyclohexanone 1243.47
    propylene glycol 270.71
    isopropyl acetate 621.61
    DMAc 931.32
    2-ethoxyethanol 531.05
    isopentanol 887.02
    n-heptane 103.91
    ethyl formate 459.51
    1,2-dichloroethane 989.52
    n-hexanol 957.76
    2-methoxyethanol 795.62
    isobutyl acetate 389.75
    tetrachloromethane 429.06
    n-pentyl acetate 495.82
    transcutol 1713.66
    n-heptanol 415.99
    ethylbenzene 450.66
    MIBK 501.03
    2-propoxyethanol 949.0
    tert-butanol 1390.47
    MTBE 1182.49
    2-butoxyethanol 518.06
    propionic acid 495.18
    o-xylene 500.65
    formic acid 143.58
    diethyl ether 861.9
    m-xylene 550.9
    p-xylene 597.26
    chlorobenzene 787.46
    dimethyl carbonate 223.08
    n-octane 60.25
    formamide 190.07
    cyclopentanone 976.93
    2-pentanone 652.59
    anisole 631.44
    cyclopentyl methyl ether 832.53
    gamma-butyrolactone 1012.37
    1-methoxy-2-propanol 770.11
    pyridine 1027.59
    3-pentanone 491.2
    furfural 852.61
    n-dodecane 56.11
    diethylene glycol 525.39
    diisopropyl ether 350.2
    tert-amyl alcohol 1090.28
    acetylacetone 676.51
    n-hexadecane 64.39
    acetophenone 514.6
    methyl propionate 498.37
    isopentyl acetate 724.51
    trichloroethylene 1890.3
    n-nonanol 421.61
    cyclohexanol 1004.58
    benzyl alcohol 512.31
    2-ethylhexanol 501.21
    isooctanol 351.37
    dipropyl ether 420.48
    1,2-dichlorobenzene 685.73
    ethyl lactate 226.14
    propylene carbonate 716.01
    n-methylformamide 359.3
    2-pentanol 728.3
    n-pentane 177.36
    1-propoxy-2-propanol 695.19
    1-methoxy-2-propyl acetate 641.38
    2-(2-methoxypropoxy) propanol 528.61
    mesitylene 354.33
    ε-caprolactone 1116.25
    p-cymene 256.09
    epichlorohydrin 1191.48
    1,1,1-trichloroethane 1291.77
    2-aminoethanol 315.76
    morpholine-4-carbaldehyde 1042.7
    sulfolane 936.71
    2,2,4-trimethylpentane 112.84
    2-methyltetrahydrofuran 1360.74
    n-hexyl acetate 801.79
    isooctane 87.32
    2-(2-butoxyethoxy)ethanol 702.53
    sec-butyl acetate 389.21
    tert-butyl acetate 657.07
    decalin 158.34
    glycerin 270.56
    diglyme 1023.69
    acrylic acid 346.53
    isopropyl myristate 305.89
    n-butyric acid 834.47
    acetyl acetate 522.63
    di(2-ethylhexyl) phthalate 284.42
    ethyl propionate 408.82
    nitromethane 638.03
    1,2-diethoxyethane 719.97
    benzonitrile 726.47
    trioctyl phosphate 213.91
    1-bromopropane 904.65
    gamma-valerolactone 1270.05
    n-decanol 309.14
    triethyl phosphate 218.51
    4-methyl-2-pentanol 455.2
    propionitrile 708.15
    vinylene carbonate 687.55
    1,1,2-trichlorotrifluoroethane 720.92
    DMS 476.61
    cumene 305.42
    2-octanol 363.28
    2-hexanone 525.73
    octyl acetate 392.29
    limonene 378.3
    1,2-dimethoxyethane 936.5
    ethyl orthosilicate 225.2
    tributyl phosphate 255.93
    diacetone alcohol 608.14
    N,N-dimethylaniline 418.87
    acrylonitrile 611.69
    aniline 705.29
    1,3-propanediol 513.72
    bromobenzene 892.37
    dibromomethane 1520.39
    1,1,2,2-tetrachloroethane 1705.95
    2-methyl-cyclohexyl acetate 425.45
    tetrabutyl urea 295.14
    diisobutyl methanol 270.05
    2-phenylethanol 580.18
    styrene 515.17
    dioctyl adipate 379.81
    dimethyl sulfate 309.13
    ethyl butyrate 446.21
    methyl lactate 255.66
    butyl lactate 358.15
    diethyl carbonate 322.08
    propanediol butyl ether 558.78
    triethyl orthoformate 322.37
    p-tert-butyltoluene 259.59
    methyl 4-tert-butylbenzoate 490.36
    morpholine 1646.9
    tert-butylamine 1008.33
    n-dodecanol 231.42
    dimethoxymethane 646.42
    ethylene carbonate 592.12
    cyrene 394.87
    2-ethoxyethyl acetate 554.99
    2-ethylhexyl acetate 562.69
    1,2,4-trichlorobenzene 783.49
    4-methylpyridine 1250.74
    dibutyl ether 488.46
    2,6-dimethyl-4-heptanol 270.05
    DEF 667.47
    dimethyl isosorbide 761.96
    tetrachloroethylene 1006.68
    eugenol 436.21
    triacetin 576.73
    span 80 525.35
    1,4-butanediol 232.23
    1,1-dichloroethane 1419.4
    2-methyl-1-pentanol 650.79
    methyl formate 283.6
    2-methyl-1-butanol 840.6
    n-decane 95.23
    butyronitrile 871.83
    3,7-dimethyl-1-octanol 477.84
    1-chlorooctane 341.98
    1-chlorotetradecane 140.85
    n-nonane 95.31
    undecane 71.01
    tert-butylcyclohexane 154.22
    cyclooctane 112.96
    cyclopentanol 855.58
    tetrahydropyran 1593.16
    tert-amyl methyl ether 755.58
    2,5,8-trioxanonane 731.23
    1-hexene 580.94
    2-isopropoxyethanol 463.0
    2,2,2-trifluoroethanol 177.8
    methyl butyrate 532.38

    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
Cardamom (Reunion) 8000-66-6 Elettaria cardamomum (L.) Maton, var. alpha-minor, fam. Zingiberaceae 0.1%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Myrtle leaf (Croatia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 1.0%
Myrtle berry (Croatia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 2.0%
Myrtle flower (Croatia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 2.0%