3,7-Dimethyloct-6-enyl 4-methylvalerate

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  • Identifiers

    CAS number
    71662-18-5

    Molecular formula
    C16H30O2

    SMILES
    CC(C)CCC(=O)OCCC(C)CCC=C(C)C

  • Odor profile

    Floral 82.22%
    Rose 76.26%
    Fruity 70.34%
    Sweet 53.49%
    Herbal 51.76%
    Waxy 39.88%
    Geranium 38.24%
    Citrus 36.86%
    Apple 36.32%
    Honey 33.81%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point est.
    122.48 ˚C

  • Synonyms

    • 71662-18-5
    • 3,7-Dimethyloct-6-enyl 4-methylvalerate
    • EINECS 275-783-7
    • Citronellyl isohexanoate
    • DTXSID90992243
    • NS00061718
    • 3,7-DIMETHYLOCT-6-EN-1-YL 4-METHYLPENTANOATE
    • Pentanoic acid, 4-methyl-, 3,7-dimethyl-6-octenyl ester

  • Applications

    3,7-Dimethyloct-6-enyl 4-methylvalerate (CAS 71662-18-5), also known as citronellyl 4‑methylvalerate/citronellyl isocaproate, is a fragrance ester used to build and modulate accords in fine perfumery, personal care (body washes, shampoos, creams), and home/air-care products (laundry detergents and softeners, cleaners, scented candles, reed diffusers). It delivers fruity–citrus and soft rosy facets with fresh green apple–pear nuances, rounding harsh edges while enhancing bloom, diffusion, and substantivity on skin, textiles, and hard surfaces; it also shows good stability in alkaline soap and detergent bases. Additionally, it serves as a blender/masking agent, a precursor for pro‑fragrances or microencapsulation for long-lasting scent, and a reference standard in olfactory research, sensory testing, and perfumery training.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1243.16
    methanol 879.65
    isopropanol 1075.1
    water 0.14
    ethyl acetate 983.62
    n-propanol 842.88
    acetone 786.79
    n-butanol 975.09
    acetonitrile 433.64
    DMF 510.72
    toluene 544.64
    isobutanol 681.07
    1,4-dioxane 1670.57
    methyl acetate 587.25
    THF 2077.86
    2-butanone 804.89
    n-pentanol 809.62
    sec-butanol 969.49
    n-hexane 292.1
    ethylene glycol 44.14
    NMP 509.93
    cyclohexane 466.5
    DMSO 530.06
    n-butyl acetate 999.61
    n-octanol 428.97
    chloroform 1865.73
    n-propyl acetate 698.35
    acetic acid 494.18
    dichloromethane 1482.31
    cyclohexanone 1205.67
    propylene glycol 172.27
    isopropyl acetate 721.86
    DMAc 635.91
    2-ethoxyethanol 727.81
    isopentanol 981.71
    n-heptane 155.43
    ethyl formate 383.78
    1,2-dichloroethane 969.74
    n-hexanol 1008.67
    2-methoxyethanol 867.27
    isobutyl acetate 510.86
    tetrachloromethane 306.13
    n-pentyl acetate 594.26
    transcutol 2573.21
    n-heptanol 427.56
    ethylbenzene 386.48
    MIBK 557.29
    2-propoxyethanol 1065.0
    tert-butanol 1322.96
    MTBE 1394.14
    2-butoxyethanol 647.03
    propionic acid 337.07
    o-xylene 361.04
    formic acid 84.09
    diethyl ether 1185.24
    m-xylene 411.0
    p-xylene 512.93
    chlorobenzene 564.89
    dimethyl carbonate 105.65
    n-octane 63.72
    formamide 113.27
    cyclopentanone 811.64
    2-pentanone 763.82
    anisole 557.92
    cyclopentyl methyl ether 890.08
    gamma-butyrolactone 694.22
    1-methoxy-2-propanol 812.04
    pyridine 973.53
    3-pentanone 460.03
    furfural 630.79
    n-dodecane 42.97
    diethylene glycol 388.9
    diisopropyl ether 409.63
    tert-amyl alcohol 1135.31
    acetylacetone 649.93
    n-hexadecane 50.36
    acetophenone 461.02
    methyl propionate 415.95
    isopentyl acetate 973.9
    trichloroethylene 1532.74
    n-nonanol 386.05
    cyclohexanol 933.44
    benzyl alcohol 433.41
    2-ethylhexanol 618.02
    isooctanol 370.14
    dipropyl ether 687.43
    1,2-dichlorobenzene 503.73
    ethyl lactate 235.6
    propylene carbonate 505.12
    n-methylformamide 202.68
    2-pentanol 807.86
    n-pentane 179.98
    1-propoxy-2-propanol 923.57
    1-methoxy-2-propyl acetate 736.21
    2-(2-methoxypropoxy) propanol 620.24
    mesitylene 282.72
    ε-caprolactone 988.49
    p-cymene 258.51
    epichlorohydrin 1136.66
    1,1,1-trichloroethane 1067.3
    2-aminoethanol 202.58
    morpholine-4-carbaldehyde 770.65
    sulfolane 629.41
    2,2,4-trimethylpentane 110.94
    2-methyltetrahydrofuran 1595.95
    n-hexyl acetate 812.21
    isooctane 91.09
    2-(2-butoxyethoxy)ethanol 890.86
    sec-butyl acetate 592.02
    tert-butyl acetate 738.49
    decalin 187.83
    glycerin 158.04
    diglyme 1425.04
    acrylic acid 189.98
    isopropyl myristate 315.12
    n-butyric acid 882.74
    acetyl acetate 459.19
    di(2-ethylhexyl) phthalate 279.03
    ethyl propionate 503.11
    nitromethane 508.13
    1,2-diethoxyethane 1086.44
    benzonitrile 544.91
    trioctyl phosphate 195.5
    1-bromopropane 808.21
    gamma-valerolactone 1153.28
    n-decanol 272.85
    triethyl phosphate 246.25
    4-methyl-2-pentanol 480.14
    propionitrile 440.28
    vinylene carbonate 399.27
    1,1,2-trichlorotrifluoroethane 599.82
    DMS 360.72
    cumene 275.76
    2-octanol 332.48
    2-hexanone 717.61
    octyl acetate 379.3
    limonene 418.27
    1,2-dimethoxyethane 1281.85
    ethyl orthosilicate 282.6
    tributyl phosphate 244.09
    diacetone alcohol 670.09
    N,N-dimethylaniline 376.16
    acrylonitrile 344.21
    aniline 501.2
    1,3-propanediol 453.26
    bromobenzene 632.04
    dibromomethane 1126.25
    1,1,2,2-tetrachloroethane 1465.42
    2-methyl-cyclohexyl acetate 540.1
    tetrabutyl urea 289.78
    diisobutyl methanol 346.36
    2-phenylethanol 528.56
    styrene 436.96
    dioctyl adipate 420.84
    dimethyl sulfate 133.79
    ethyl butyrate 640.67
    methyl lactate 174.47
    butyl lactate 418.29
    diethyl carbonate 367.11
    propanediol butyl ether 550.21
    triethyl orthoformate 462.1
    p-tert-butyltoluene 249.27
    methyl 4-tert-butylbenzoate 459.06
    morpholine 2069.41
    tert-butylamine 926.48
    n-dodecanol 205.39
    dimethoxymethane 501.67
    ethylene carbonate 400.67
    cyrene 389.67
    2-ethoxyethyl acetate 696.3
    2-ethylhexyl acetate 763.31
    1,2,4-trichlorobenzene 573.46
    4-methylpyridine 1049.52
    dibutyl ether 640.45
    2,6-dimethyl-4-heptanol 346.36
    DEF 600.72
    dimethyl isosorbide 843.03
    tetrachloroethylene 876.96
    eugenol 445.67
    triacetin 556.86
    span 80 624.05
    1,4-butanediol 188.23
    1,1-dichloroethane 1095.88
    2-methyl-1-pentanol 787.56
    methyl formate 131.66
    2-methyl-1-butanol 783.55
    n-decane 82.7
    butyronitrile 738.29
    3,7-dimethyl-1-octanol 479.18
    1-chlorooctane 301.02
    1-chlorotetradecane 119.05
    n-nonane 83.11
    undecane 57.32
    tert-butylcyclohexane 171.87
    cyclooctane 128.4
    cyclopentanol 612.37
    tetrahydropyran 2288.12
    tert-amyl methyl ether 842.98
    2,5,8-trioxanonane 886.93
    1-hexene 747.7
    2-isopropoxyethanol 596.07
    2,2,2-trifluoroethanol 98.64
    methyl butyrate 707.94

    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
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.62%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.2%