1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoate

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  • Identifiers

    CAS number
    7149-34-0

    Molecular formula
    C18H30O2

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

  • Odor profile

    Fragrance
    Floral 81.04%
    Sweet 73.32%
    Woody 60.53%
    Fruity 58.6%
    Citrus 58.19%
    Rose 57.62%
    Green 55.56%
    Waxy 50.78%
    Fresh 47.53%
    Bergamot 45.1%

     

    Flavor
    Fruity 56.58%
    Bergamot 55.24%
    Green 53.34%
    Floral 51.97%
    Woody 50.0%
    Rose 49.13%
    Sweet 48.91%
    Lavender 44.85%
    Citrus 44.78%
    Tropical 35.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    8.07 (weak base)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 138.8 ˚C est.

  • Synonyms

    • Nerolidyl propionate
    • 7149-34-0
    • EINECS 230-475-1
    • NSC 72037
    • 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, propanoate
    • 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoate
    • DTXSID70884359
    • 3,7,11-trimethyldodeca-1,6,10-trien-3-yl propanoate
    • 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl propionate
    • NPSBIIPKEQTFPA-UHFFFAOYSA-N
    • DTXCID701023804
    • NS00043845
    • Q67880020

  • Applications

    1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-propanoate (CAS 7149-34-0) is primarily used in perfumery and fragrance applications as a fragrance ingredient and potential fixative to extend scent; it is also encountered in cosmetics and personal care formulations as a fragrance component and in household products as a scent additive. As an ester, it may serve as an intermediate or specialty chemical in industrial manufacturing and is sometimes evaluated for use in coatings and inks where odor performance is desired; regulated contexts permitting, it could be considered for flavor formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 824.15
    methanol 561.38
    isopropanol 689.88
    water 0.05
    ethyl acetate 1147.56
    n-propanol 739.63
    acetone 549.95
    n-butanol 862.51
    acetonitrile 262.8
    DMF 495.45
    toluene 813.24
    isobutanol 624.43
    1,4-dioxane 1408.81
    methyl acetate 594.41
    THF 2079.26
    2-butanone 884.83
    n-pentanol 858.76
    sec-butanol 1004.75
    n-hexane 421.74
    ethylene glycol 15.2
    NMP 640.52
    cyclohexane 484.4
    DMSO 381.9
    n-butyl acetate 1087.52
    n-octanol 474.65
    chloroform 2051.6
    n-propyl acetate 767.28
    acetic acid 247.66
    dichloromethane 1690.97
    cyclohexanone 1346.83
    propylene glycol 79.4
    isopropyl acetate 933.76
    DMAc 975.51
    2-ethoxyethanol 636.14
    isopentanol 938.51
    n-heptane 186.93
    ethyl formate 310.13
    1,2-dichloroethane 941.19
    n-hexanol 1040.91
    2-methoxyethanol 581.72
    isobutyl acetate 640.92
    tetrachloromethane 275.26
    n-pentyl acetate 766.8
    transcutol 2376.92
    n-heptanol 436.95
    ethylbenzene 653.9
    MIBK 707.75
    2-propoxyethanol 947.81
    tert-butanol 1024.95
    MTBE 1914.37
    2-butoxyethanol 590.17
    propionic acid 259.11
    o-xylene 521.63
    formic acid 41.13
    diethyl ether 1612.51
    m-xylene 578.32
    p-xylene 723.74
    chlorobenzene 640.23
    dimethyl carbonate 131.11
    n-octane 78.75
    formamide 63.9
    cyclopentanone 871.64
    2-pentanone 890.88
    anisole 797.99
    cyclopentyl methyl ether 1207.41
    gamma-butyrolactone 705.47
    1-methoxy-2-propanol 621.31
    pyridine 871.98
    3-pentanone 659.16
    furfural 550.17
    n-dodecane 53.81
    diethylene glycol 288.76
    diisopropyl ether 615.57
    tert-amyl alcohol 1269.42
    acetylacetone 631.88
    n-hexadecane 63.56
    acetophenone 609.66
    methyl propionate 545.94
    isopentyl acetate 1106.93
    trichloroethylene 1451.61
    n-nonanol 443.48
    cyclohexanol 889.08
    benzyl alcohol 462.46
    2-ethylhexanol 723.71
    isooctanol 395.62
    dipropyl ether 834.85
    1,2-dichlorobenzene 591.29
    ethyl lactate 224.57
    propylene carbonate 519.05
    n-methylformamide 159.5
    2-pentanol 820.7
    n-pentane 242.17
    1-propoxy-2-propanol 807.43
    1-methoxy-2-propyl acetate 814.39
    2-(2-methoxypropoxy) propanol 680.91
    mesitylene 352.72
    ε-caprolactone 1216.5
    p-cymene 314.07
    epichlorohydrin 1181.46
    1,1,1-trichloroethane 1103.84
    2-aminoethanol 102.19
    morpholine-4-carbaldehyde 841.37
    sulfolane 685.42
    2,2,4-trimethylpentane 164.03
    2-methyltetrahydrofuran 2061.92
    n-hexyl acetate 1129.69
    isooctane 109.72
    2-(2-butoxyethoxy)ethanol 862.49
    sec-butyl acetate 761.56
    tert-butyl acetate 990.61
    decalin 253.22
    glycerin 84.21
    diglyme 1328.04
    acrylic acid 124.1
    isopropyl myristate 420.03
    n-butyric acid 690.88
    acetyl acetate 479.67
    di(2-ethylhexyl) phthalate 329.82
    ethyl propionate 679.36
    nitromethane 315.48
    1,2-diethoxyethane 1279.89
    benzonitrile 497.35
    trioctyl phosphate 228.86
    1-bromopropane 1122.96
    gamma-valerolactone 1134.13
    n-decanol 305.74
    triethyl phosphate 295.41
    4-methyl-2-pentanol 540.63
    propionitrile 412.28
    vinylene carbonate 409.12
    1,1,2-trichlorotrifluoroethane 484.94
    DMS 460.76
    cumene 396.78
    2-octanol 383.89
    2-hexanone 846.78
    octyl acetate 508.28
    limonene 560.75
    1,2-dimethoxyethane 1242.97
    ethyl orthosilicate 343.36
    tributyl phosphate 296.34
    diacetone alcohol 675.49
    N,N-dimethylaniline 599.08
    acrylonitrile 277.56
    aniline 509.13
    1,3-propanediol 253.48
    bromobenzene 770.04
    dibromomethane 1293.93
    1,1,2,2-tetrachloroethane 1379.24
    2-methyl-cyclohexyl acetate 700.37
    tetrabutyl urea 376.51
    diisobutyl methanol 358.99
    2-phenylethanol 592.49
    styrene 683.15
    dioctyl adipate 540.97
    dimethyl sulfate 163.83
    ethyl butyrate 772.73
    methyl lactate 155.41
    butyl lactate 411.06
    diethyl carbonate 437.14
    propanediol butyl ether 436.97
    triethyl orthoformate 549.72
    p-tert-butyltoluene 297.18
    methyl 4-tert-butylbenzoate 589.13
    morpholine 1747.16
    tert-butylamine 809.3
    n-dodecanol 223.77
    dimethoxymethane 580.09
    ethylene carbonate 386.75
    cyrene 436.85
    2-ethoxyethyl acetate 787.2
    2-ethylhexyl acetate 935.33
    1,2,4-trichlorobenzene 687.89
    4-methylpyridine 1226.55
    dibutyl ether 897.1
    2,6-dimethyl-4-heptanol 358.99
    DEF 894.34
    dimethyl isosorbide 1017.03
    tetrachloroethylene 801.06
    eugenol 485.19
    triacetin 696.73
    span 80 621.62
    1,4-butanediol 120.19
    1,1-dichloroethane 1104.92
    2-methyl-1-pentanol 976.47
    methyl formate 102.62
    2-methyl-1-butanol 893.51
    n-decane 108.25
    butyronitrile 687.71
    3,7-dimethyl-1-octanol 566.93
    1-chlorooctane 412.9
    1-chlorotetradecane 156.24
    n-nonane 108.42
    undecane 72.03
    tert-butylcyclohexane 242.67
    cyclooctane 148.41
    cyclopentanol 579.62
    tetrahydropyran 2304.19
    tert-amyl methyl ether 1386.37
    2,5,8-trioxanonane 919.8
    1-hexene 1105.84
    2-isopropoxyethanol 606.39
    2,2,2-trifluoroethanol 49.94
    methyl butyrate 858.14

    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