1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, 1-propanoate

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  • Identifiers

    CAS number
    141773-73-1

    Molecular formula
    C17H32O3

    SMILES
    CCC(=O)OCC(C)(C)OC(C)C1CCCC(C1)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 70.73%
    Floral 66.81%
    Woody 64.05%
    Musk 36.24%
    Berry 33.02%
    Rose 32.92%
    Herbal 32.54%
    Dry 31.64%
    Amber 30.49%
    Natural 28.28%

     

    Flavor
    Green 56.48%
    Herbal 49.98%
    Sweet 45.94%
    Tropical 40.57%
    Fruity 40.21%
    Citrus 37.59%
    Floral 34.99%
    Woody 34.35%
    Bitter 33.19%
    Lavender 30.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.14 (weak base)

    Molecular weight
    284.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 137.72 ˚C est.

  • Synonyms

    • 141773-73-1
    • 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate
    • UNII-I1AI9W9CAB
    • I1AI9W9CAB
    • Dimethylcyclohexylethoxy isobutylpropanoate
    • DTXSID7051341
    • [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] propanoate
    • EC 415-490-5
    • EC 604-250-7
    • 1-propanol,2-[1-(3,3-dimethyl-cyclohexyl)ethoxy]-2-methyl-,propa
    • 1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, 1-propanoate
    • 1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, propanoate
    • 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, propanoate
    • HELVETOLIDE
    • SCHEMBL238099
    • DTXCID8029943
    • LSTSBZKIQFOPHA-UHFFFAOYSA-N
    • NS00019508
    • DIMETHYLCYCLOHEXYLETHOXY ISOBUTYLPROPANOATE [INCI]
    • (2-(1-(3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-PROPYL) PROPANOATE
    • 2-(1-(3',3'-Dimethyl-1'-cyclohexyl)ethoxy)-2-methyl propyl propanoate
    • 604-250-7

  • Applications

    CAS 141773-73-1 is an ester used as a solvent and processing intermediate in various industrial formulations; in perfumery and cosmetics it is evaluated as a fragrance ingredient and solvent for aroma delivery, in coatings and inks it serves as a solvent and formulation aid to improve flow and film formation, in polymers and plastics it can function as a plasticizer or processing aid, and in industrial manufacturing it is employed as an intermediate for synthesis or formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1883.27
    methanol 1673.25
    isopropanol 1670.75
    water 1.77
    ethyl acetate 2407.02
    n-propanol 1653.98
    acetone 2062.98
    n-butanol 1617.94
    acetonitrile 1329.19
    DMF 2048.25
    toluene 1271.47
    isobutanol 1500.33
    1,4-dioxane 2476.2
    methyl acetate 1770.81
    THF 3059.25
    2-butanone 1837.33
    n-pentanol 1126.08
    sec-butanol 1639.57
    n-hexane 373.04
    ethylene glycol 206.07
    NMP 1390.41
    cyclohexane 618.02
    DMSO 1259.74
    n-butyl acetate 1840.85
    n-octanol 798.74
    chloroform 4451.19
    n-propyl acetate 1452.86
    acetic acid 1791.58
    dichloromethane 3161.58
    cyclohexanone 2602.61
    propylene glycol 390.18
    isopropyl acetate 2167.04
    DMAc 2262.99
    2-ethoxyethanol 1466.88
    isopentanol 1681.11
    n-heptane 168.68
    ethyl formate 1169.31
    1,2-dichloroethane 2129.1
    n-hexanol 1535.07
    2-methoxyethanol 1738.11
    isobutyl acetate 1269.2
    tetrachloromethane 898.22
    n-pentyl acetate 1258.76
    transcutol 3855.35
    n-heptanol 740.72
    ethylbenzene 783.63
    MIBK 1409.79
    2-propoxyethanol 1864.64
    tert-butanol 2124.51
    MTBE 3276.96
    2-butoxyethanol 1274.4
    propionic acid 1118.73
    o-xylene 901.59
    formic acid 487.52
    diethyl ether 2197.48
    m-xylene 977.24
    p-xylene 1119.89
    chlorobenzene 1265.37
    dimethyl carbonate 584.59
    n-octane 87.64
    formamide 497.48
    cyclopentanone 1991.59
    2-pentanone 1786.94
    anisole 1122.97
    cyclopentyl methyl ether 1941.65
    gamma-butyrolactone 1856.59
    1-methoxy-2-propanol 1524.02
    pyridine 1567.52
    3-pentanone 1387.53
    furfural 1571.37
    n-dodecane 60.36
    diethylene glycol 907.44
    diisopropyl ether 1003.18
    tert-amyl alcohol 2055.51
    acetylacetone 1849.95
    n-hexadecane 72.42
    acetophenone 1033.6
    methyl propionate 1443.49
    isopentyl acetate 2000.24
    trichloroethylene 3649.02
    n-nonanol 693.11
    cyclohexanol 1727.69
    benzyl alcohol 841.11
    2-ethylhexanol 909.23
    isooctanol 627.32
    dipropyl ether 949.62
    1,2-dichlorobenzene 1169.31
    ethyl lactate 562.23
    propylene carbonate 1399.41
    n-methylformamide 997.67
    2-pentanol 1377.34
    n-pentane 305.1
    1-propoxy-2-propanol 1411.81
    1-methoxy-2-propyl acetate 1653.57
    2-(2-methoxypropoxy) propanol 942.41
    mesitylene 674.38
    ε-caprolactone 2438.74
    p-cymene 445.13
    epichlorohydrin 2522.82
    1,1,1-trichloroethane 2872.7
    2-aminoethanol 562.51
    morpholine-4-carbaldehyde 2083.19
    sulfolane 1580.5
    2,2,4-trimethylpentane 223.43
    2-methyltetrahydrofuran 2746.4
    n-hexyl acetate 1831.8
    isooctane 165.94
    2-(2-butoxyethoxy)ethanol 1381.46
    sec-butyl acetate 1426.58
    tert-butyl acetate 2107.09
    decalin 310.0
    glycerin 455.57
    diglyme 2476.44
    acrylic acid 743.93
    isopropyl myristate 574.21
    n-butyric acid 2151.47
    acetyl acetate 1623.52
    di(2-ethylhexyl) phthalate 462.03
    ethyl propionate 1249.84
    nitromethane 2033.41
    1,2-diethoxyethane 1637.99
    benzonitrile 1078.27
    trioctyl phosphate 378.6
    1-bromopropane 1650.58
    gamma-valerolactone 2841.24
    n-decanol 457.15
    triethyl phosphate 511.83
    4-methyl-2-pentanol 957.63
    propionitrile 1201.39
    vinylene carbonate 1188.99
    1,1,2-trichlorotrifluoroethane 1763.37
    DMS 1094.87
    cumene 588.02
    2-octanol 592.67
    2-hexanone 1301.45
    octyl acetate 731.43
    limonene 699.78
    1,2-dimethoxyethane 2294.48
    ethyl orthosilicate 554.46
    tributyl phosphate 501.61
    diacetone alcohol 1518.13
    N,N-dimethylaniline 801.35
    acrylonitrile 1091.84
    aniline 1062.4
    1,3-propanediol 1009.79
    bromobenzene 1369.75
    dibromomethane 2294.68
    1,1,2,2-tetrachloroethane 3376.14
    2-methyl-cyclohexyl acetate 935.77
    tetrabutyl urea 528.8
    diisobutyl methanol 485.75
    2-phenylethanol 946.25
    styrene 869.26
    dioctyl adipate 746.0
    dimethyl sulfate 733.7
    ethyl butyrate 1148.66
    methyl lactate 577.63
    butyl lactate 896.29
    diethyl carbonate 740.27
    propanediol butyl ether 1072.45
    triethyl orthoformate 852.47
    p-tert-butyltoluene 434.56
    methyl 4-tert-butylbenzoate 907.58
    morpholine 2745.0
    tert-butylamine 1515.57
    n-dodecanol 324.94
    dimethoxymethane 1607.39
    ethylene carbonate 1281.31
    cyrene 639.57
    2-ethoxyethyl acetate 1437.02
    2-ethylhexyl acetate 1554.05
    1,2,4-trichlorobenzene 1294.62
    4-methylpyridine 2179.34
    dibutyl ether 999.31
    2,6-dimethyl-4-heptanol 485.75
    DEF 1970.59
    dimethyl isosorbide 1336.47
    tetrachloroethylene 2181.8
    eugenol 743.74
    triacetin 1202.65
    span 80 841.42
    1,4-butanediol 475.69
    1,1-dichloroethane 2745.06
    2-methyl-1-pentanol 1217.35
    methyl formate 778.7
    2-methyl-1-butanol 1585.25
    n-decane 126.37
    butyronitrile 1523.3
    3,7-dimethyl-1-octanol 806.37
    1-chlorooctane 588.04
    1-chlorotetradecane 200.56
    n-nonane 125.42
    undecane 81.21
    tert-butylcyclohexane 289.3
    cyclooctane 214.48
    cyclopentanol 1311.09
    tetrahydropyran 2955.07
    tert-amyl methyl ether 2221.33
    2,5,8-trioxanonane 1350.55
    1-hexene 1020.37
    2-isopropoxyethanol 1187.21
    2,2,2-trifluoroethanol 592.86
    methyl butyrate 1696.23

    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