1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate

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  • Identifiers

    CAS number
    14481-55-1

    Molecular formula
    C15H26O2

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

  • Odor profile

    Fragrance
    Fruity 77.68%
    Floral 68.12%
    Herbal 68.07%
    Sweet 48.23%
    Spicy 47.41%
    Rose 46.87%
    Woody 44.05%
    Citrus 35.89%
    Apple 34.39%
    Balsamic 33.43%

     

    Flavor
    Fruity 61.96%
    Herbal 55.97%
    Green 45.2%
    Tropical 39.76%
    Sweet 38.24%
    Fruit 37.34%
    Citrus 35.67%
    Lavender 33.37%
    Bitter 30.76%
    Rose 30.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.75 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 295.00 to 296.00 °C. @ 760.00 mm Hg

    Flash point

    • 127.43 ˚C est.

  • Synonyms

    • Terpinyl valerate
    • 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
    • 14481-55-1
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoate
    • alpha-Terpinyl pentanoate
    • Terpenyl pentanoate
    • Valeric acid, p-menth-1-en-8-yl ester
    • EINECS 238-477-4
    • SCHEMBL3504963
    • DTXSID00932418
    • p-menth-1-en-8-yl n-pentanoate
    • NS00054160

  • Applications

    Chemical name: 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate; CAS number: 14481-55-1. This ester is largely used as a fragrance ingredient in perfumery and cosmetics, contributing a terpene-like aroma and often functioning as a scent modifier or fixative in formulations. It may also be employed in household products such as cleaners and detergents to impart fragrance. In coatings and inks, it can serve as a fragrance additive to impart or stabilize character scents during processing. In industrial manufacturing and the polymers sector, the ester may be encountered as a fragrance component integrated into specialty plastics and coatings, subject to formulation limits and regulatory restrictions. Its use is typically governed by local regulations and product specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1194.66
    methanol 980.94
    isopropanol 1171.87
    water 0.27
    ethyl acetate 981.53
    n-propanol 991.74
    acetone 770.28
    n-butanol 1064.58
    acetonitrile 580.11
    DMF 762.56
    toluene 929.23
    isobutanol 850.65
    1,4-dioxane 2023.9
    methyl acetate 656.21
    THF 2132.37
    2-butanone 814.85
    n-pentanol 751.94
    sec-butanol 1044.72
    n-hexane 285.01
    ethylene glycol 57.32
    NMP 757.07
    cyclohexane 542.84
    DMSO 530.56
    n-butyl acetate 1015.48
    n-octanol 471.93
    chloroform 2980.54
    n-propyl acetate 574.55
    acetic acid 475.17
    dichloromethane 2014.05
    cyclohexanone 1399.93
    propylene glycol 174.84
    isopropyl acetate 806.33
    DMAc 877.16
    2-ethoxyethanol 563.58
    isopentanol 1034.91
    n-heptane 124.48
    ethyl formate 436.16
    1,2-dichloroethane 1190.41
    n-hexanol 1157.05
    2-methoxyethanol 777.12
    isobutyl acetate 506.03
    tetrachloromethane 375.41
    n-pentyl acetate 590.96
    transcutol 2503.34
    n-heptanol 415.44
    ethylbenzene 492.13
    MIBK 606.37
    2-propoxyethanol 1076.63
    tert-butanol 1287.65
    MTBE 1463.35
    2-butoxyethanol 560.3
    propionic acid 414.72
    o-xylene 499.25
    formic acid 100.75
    diethyl ether 1282.8
    m-xylene 593.63
    p-xylene 627.47
    chlorobenzene 926.0
    dimethyl carbonate 180.72
    n-octane 60.35
    formamide 137.61
    cyclopentanone 999.68
    2-pentanone 774.62
    anisole 691.28
    cyclopentyl methyl ether 1081.14
    gamma-butyrolactone 931.15
    1-methoxy-2-propanol 752.51
    pyridine 1284.74
    3-pentanone 537.39
    furfural 768.47
    n-dodecane 54.75
    diethylene glycol 480.97
    diisopropyl ether 453.77
    tert-amyl alcohol 1108.55
    acetylacetone 703.71
    n-hexadecane 65.03
    acetophenone 537.27
    methyl propionate 522.88
    isopentyl acetate 1002.47
    trichloroethylene 1934.55
    n-nonanol 424.72
    cyclohexanol 1123.78
    benzyl alcohol 521.25
    2-ethylhexanol 624.61
    isooctanol 367.29
    dipropyl ether 588.29
    1,2-dichlorobenzene 785.76
    ethyl lactate 224.78
    propylene carbonate 640.9
    n-methylformamide 278.05
    2-pentanol 815.65
    n-pentane 205.25
    1-propoxy-2-propanol 839.55
    1-methoxy-2-propyl acetate 798.43
    2-(2-methoxypropoxy) propanol 640.29
    mesitylene 387.14
    ε-caprolactone 1219.75
    p-cymene 274.79
    epichlorohydrin 1330.43
    1,1,1-trichloroethane 1316.4
    2-aminoethanol 231.3
    morpholine-4-carbaldehyde 1011.75
    sulfolane 810.28
    2,2,4-trimethylpentane 125.1
    2-methyltetrahydrofuran 1871.22
    n-hexyl acetate 937.97
    isooctane 98.28
    2-(2-butoxyethoxy)ethanol 877.12
    sec-butyl acetate 527.1
    tert-butyl acetate 774.31
    decalin 210.52
    glycerin 190.82
    diglyme 1285.3
    acrylic acid 252.84
    isopropyl myristate 354.24
    n-butyric acid 916.71
    acetyl acetate 569.71
    di(2-ethylhexyl) phthalate 321.99
    ethyl propionate 489.84
    nitromethane 527.89
    1,2-diethoxyethane 1065.28
    benzonitrile 736.43
    trioctyl phosphate 221.47
    1-bromopropane 1063.09
    gamma-valerolactone 1294.19
    n-decanol 307.62
    triethyl phosphate 239.98
    4-methyl-2-pentanol 519.91
    propionitrile 603.66
    vinylene carbonate 568.3
    1,1,2-trichlorotrifluoroethane 680.98
    DMS 503.33
    cumene 334.82
    2-octanol 334.04
    2-hexanone 635.27
    octyl acetate 447.94
    limonene 443.54
    1,2-dimethoxyethane 1136.91
    ethyl orthosilicate 260.16
    tributyl phosphate 285.68
    diacetone alcohol 633.33
    N,N-dimethylaniline 456.18
    acrylonitrile 472.27
    aniline 727.31
    1,3-propanediol 466.27
    bromobenzene 1069.34
    dibromomethane 1558.76
    1,1,2,2-tetrachloroethane 1862.87
    2-methyl-cyclohexyl acetate 516.7
    tetrabutyl urea 325.31
    diisobutyl methanol 307.78
    2-phenylethanol 659.55
    styrene 586.7
    dioctyl adipate 454.78
    dimethyl sulfate 216.98
    ethyl butyrate 567.19
    methyl lactate 212.11
    butyl lactate 393.06
    diethyl carbonate 366.43
    propanediol butyl ether 545.51
    triethyl orthoformate 416.36
    p-tert-butyltoluene 277.28
    methyl 4-tert-butylbenzoate 513.72
    morpholine 2234.44
    tert-butylamine 958.04
    n-dodecanol 229.51
    dimethoxymethane 680.73
    ethylene carbonate 543.43
    cyrene 398.91
    2-ethoxyethyl acetate 702.18
    2-ethylhexyl acetate 793.8
    1,2,4-trichlorobenzene 870.88
    4-methylpyridine 1464.47
    dibutyl ether 619.71
    2,6-dimethyl-4-heptanol 307.78
    DEF 727.74
    dimethyl isosorbide 871.22
    tetrachloroethylene 1062.96
    eugenol 482.9
    triacetin 641.89
    span 80 609.7
    1,4-butanediol 192.1
    1,1-dichloroethane 1486.92
    2-methyl-1-pentanol 754.73
    methyl formate 195.22
    2-methyl-1-butanol 929.81
    n-decane 94.66
    butyronitrile 938.02
    3,7-dimethyl-1-octanol 512.82
    1-chlorooctane 349.97
    1-chlorotetradecane 146.65
    n-nonane 92.17
    undecane 70.22
    tert-butylcyclohexane 178.95
    cyclooctane 156.62
    cyclopentanol 800.77
    tetrahydropyran 2420.41
    tert-amyl methyl ether 896.44
    2,5,8-trioxanonane 884.52
    1-hexene 778.26
    2-isopropoxyethanol 502.44
    2,2,2-trifluoroethanol 120.63
    methyl butyrate 645.37

    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