(R)-3,7-Dimethyloct-6-enyl acetate

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  • Identifiers

    CAS number
    20425-54-1

    Molecular formula
    C12H22O2

    SMILES
    C[C@H](CCC=C(C)C)CCOC(=O)C

  • Odor profile

    Fragrance
    Floral 90.34%
    Fruity 79.23%
    Rose 78.35%
    Citrus 77.25%
    Sweet 75.41%
    Green 73.81%
    Fresh 64.7%
    Waxy 63.67%
    Geranium 48.63%
    Tropical 45.7%

     

    Flavor
    Floral 77.35%
    Rose 71.47%
    Green 68.35%
    Fruity 60.0%
    Bitter 59.66%
    Waxy 53.74%
    Sweet 48.34%
    Tropical 48.08%
    Citrus 47.59%
    Geranium 46.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.8 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 96.84 ˚C est.

  • Synonyms

    • 20425-54-1
    • Citronellol acetate, (R)-
    • (R)-3,7-Dimethyloct-6-enyl acetate
    • [(3R)-3,7-dimethyloct-6-enyl] acetate
    • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (R)-
    • 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
    • 9X45FJL446
    • (R)-3,7-Dimethyloct-6-en-1-yl acetate
    • acetic acid (r)-3,7-dimethyloct-6-enyl ester
    • (3R)-3,7-DIMETHYLOCT-6-EN-1-YL ACETATE
    • UNII-9X45FJL446
    • EINECS 243-812-2
    • Spectrum_001183
    • starbld0014415
    • SpecPlus_000447
    • (R)-citronellol acetate
    • AI3-00205
    • Spectrum2_000692
    • Spectrum3_001344
    • Spectrum4_001874
    • Spectrum5_000468
    • (+)-R-Citronellol acetate
    • BSPBio_003127
    • KBioGR_002371
    • KBioSS_001663
    • SPECTRUM310030
    • (+)-beta-Citronellol acetate
    • DivK1c_006543
    • SPBio_000843
    • KBio1_001487
    • KBio2_001663
    • KBio2_004231
    • KBio2_006799
    • KBio3_002347
    • JOZKFWLRHCDGJA-LLVKDONJSA-N
    • DTXSID501253609
    • (R)-(+)-beta-Citronellol acetate
    • CCG-38527
    • LMFA07010812
    • (R)-(+)-CITRONELLYL ACETATE
    • AKOS040751199
    • SDCCGMLS-0066592.P001
    • NCGC00178253-01
    • 3,7-Dimethyl-acetate(R)-6-Octen-1-ol
    • FEMA NO. 2311, (+)-
    • DB-310280
    • NS00084486
    • (3R)-3,7-DIMETHYL-6-OCTENYL ACETATE
    • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3R)-
    • SR-05000002440
    • SR-05000002440-1
    • Q27273336
    • 6-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE, (R)-(+)-

  • Applications

    Applications of (R)-3,7-Dimethyloct-6-enyl acetate (CAS 20425-54-1) primarily include use as a fragrance ingredient and odorant in perfumery and cosmetics, with potential to act as a fixative to extend scent in fragrance formulations. It is also used in household products with scented formulations, such as floor cleaners and air fresheners. As a chiral ester, it is commonly evaluated as a component or intermediate in industrial fragrance synthesis and formulation development. It may serve as a building block for the synthesis of other chiral fragrance compounds or for specialized fragrance applications, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3377.95
    methanol 3196.86
    isopropanol 2573.6
    water 1.11
    ethyl acetate 1242.09
    n-propanol 1915.19
    acetone 1614.74
    n-butanol 1841.57
    acetonitrile 1110.76
    DMF 1001.23
    toluene 512.37
    isobutanol 1265.34
    1,4-dioxane 3072.13
    methyl acetate 886.45
    THF 2870.74
    2-butanone 1018.62
    n-pentanol 1250.05
    sec-butanol 1718.93
    n-hexane 313.76
    ethylene glycol 232.15
    NMP 726.14
    cyclohexane 423.26
    DMSO 1054.42
    n-butyl acetate 791.96
    n-octanol 491.61
    chloroform 2620.46
    n-propyl acetate 668.61
    acetic acid 1176.65
    dichloromethane 1762.54
    cyclohexanone 1409.62
    propylene glycol 655.24
    isopropyl acetate 733.25
    DMAc 832.3
    2-ethoxyethanol 1319.06
    isopentanol 1349.21
    n-heptane 136.78
    ethyl formate 586.42
    1,2-dichloroethane 961.84
    n-hexanol 1310.1
    2-methoxyethanol 1969.65
    isobutyl acetate 435.64
    tetrachloromethane 336.1
    n-pentyl acetate 459.47
    transcutol 3538.85
    n-heptanol 455.44
    ethylbenzene 296.06
    MIBK 549.0
    2-propoxyethanol 1521.41
    tert-butanol 2540.47
    MTBE 1577.2
    2-butoxyethanol 718.42
    propionic acid 800.46
    o-xylene 301.76
    formic acid 288.13
    diethyl ether 1592.08
    m-xylene 355.62
    p-xylene 388.82
    chlorobenzene 509.87
    dimethyl carbonate 150.44
    n-octane 47.9
    formamide 359.55
    cyclopentanone 1097.73
    2-pentanone 936.28
    anisole 591.15
    cyclopentyl methyl ether 1170.11
    gamma-butyrolactone 1024.32
    1-methoxy-2-propanol 1536.72
    pyridine 1268.33
    3-pentanone 522.38
    furfural 874.07
    n-dodecane 35.83
    diethylene glycol 797.44
    diisopropyl ether 397.4
    tert-amyl alcohol 1701.27
    acetylacetone 752.6
    n-hexadecane 40.92
    acetophenone 431.3
    methyl propionate 575.67
    isopentyl acetate 715.24
    trichloroethylene 1589.85
    n-nonanol 419.22
    cyclohexanol 1452.3
    benzyl alcohol 558.92
    2-ethylhexanol 610.79
    isooctanol 337.51
    dipropyl ether 662.22
    1,2-dichlorobenzene 408.06
    ethyl lactate 291.66
    propylene carbonate 617.21
    n-methylformamide 533.38
    2-pentanol 1159.14
    n-pentane 219.98
    1-propoxy-2-propanol 1045.32
    1-methoxy-2-propyl acetate 703.55
    2-(2-methoxypropoxy) propanol 662.43
    mesitylene 223.48
    ε-caprolactone 1179.79
    p-cymene 185.9
    epichlorohydrin 1414.22
    1,1,1-trichloroethane 1123.46
    2-aminoethanol 781.17
    morpholine-4-carbaldehyde 1261.62
    sulfolane 876.1
    2,2,4-trimethylpentane 94.29
    2-methyltetrahydrofuran 2270.98
    n-hexyl acetate 776.73
    isooctane 75.45
    2-(2-butoxyethoxy)ethanol 1059.17
    sec-butyl acetate 485.96
    tert-butyl acetate 749.78
    decalin 142.66
    glycerin 547.69
    diglyme 1548.58
    acrylic acid 473.72
    isopropyl myristate 261.81
    n-butyric acid 1367.15
    acetyl acetate 567.82
    di(2-ethylhexyl) phthalate 251.97
    ethyl propionate 499.54
    nitromethane 1084.19
    1,2-diethoxyethane 1075.96
    benzonitrile 617.87
    trioctyl phosphate 175.45
    1-bromopropane 849.56
    gamma-valerolactone 1608.14
    n-decanol 294.5
    triethyl phosphate 214.99
    4-methyl-2-pentanol 554.38
    propionitrile 793.93
    vinylene carbonate 532.64
    1,1,2-trichlorotrifluoroethane 990.9
    DMS 378.9
    cumene 210.48
    2-octanol 319.03
    2-hexanone 714.07
    octyl acetate 334.45
    limonene 337.53
    1,2-dimethoxyethane 1698.76
    ethyl orthosilicate 234.03
    tributyl phosphate 229.78
    diacetone alcohol 823.85
    N,N-dimethylaniline 355.23
    acrylonitrile 685.1
    aniline 761.89
    1,3-propanediol 1175.4
    bromobenzene 525.61
    dibromomethane 1296.46
    1,1,2,2-tetrachloroethane 1546.64
    2-methyl-cyclohexyl acetate 435.41
    tetrabutyl urea 262.69
    diisobutyl methanol 298.17
    2-phenylethanol 556.28
    styrene 375.75
    dioctyl adipate 383.06
    dimethyl sulfate 193.67
    ethyl butyrate 558.98
    methyl lactate 294.42
    butyl lactate 374.0
    diethyl carbonate 328.17
    propanediol butyl ether 779.68
    triethyl orthoformate 384.21
    p-tert-butyltoluene 189.31
    methyl 4-tert-butylbenzoate 405.44
    morpholine 3764.22
    tert-butylamine 1595.47
    n-dodecanol 219.14
    dimethoxymethane 798.02
    ethylene carbonate 511.68
    cyrene 458.29
    2-ethoxyethyl acetate 592.07
    2-ethylhexyl acetate 547.86
    1,2,4-trichlorobenzene 517.7
    4-methylpyridine 1258.97
    dibutyl ether 624.88
    2,6-dimethyl-4-heptanol 298.17
    DEF 783.61
    dimethyl isosorbide 839.11
    tetrachloroethylene 885.73
    eugenol 414.5
    triacetin 594.26
    span 80 688.13
    1,4-butanediol 448.35
    1,1-dichloroethane 1354.62
    2-methyl-1-pentanol 879.5
    methyl formate 305.77
    2-methyl-1-butanol 1100.9
    n-decane 68.8
    butyronitrile 1091.17
    3,7-dimethyl-1-octanol 463.41
    1-chlorooctane 269.58
    1-chlorotetradecane 96.59
    n-nonane 71.5
    undecane 47.0
    tert-butylcyclohexane 137.78
    cyclooctane 109.31
    cyclopentanol 1163.33
    tetrahydropyran 3074.78
    tert-amyl methyl ether 937.49
    2,5,8-trioxanonane 1043.77
    1-hexene 834.53
    2-isopropoxyethanol 843.84
    2,2,2-trifluoroethanol 224.44
    methyl butyrate 676.41

    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