1-Octanol, 3,7-dimethyl-, 1-acetate

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  • Identifiers

    CAS number
    20780-49-8

    Molecular formula
    C12H24O2

    SMILES
    CC(C)CCCC(C)CCOC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1320.0

  • Odor profile

    Floral 86.67%
    Sweet 78.26%
    Fruity 73.78%
    Rose 66.95%
    Fresh 65.57%
    Citrus 57.9%
    Herbal 52.76%
    Woody 50.88%
    Waxy 46.23%
    Green 43.81%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.34 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    91.86 ˚C

  • Synonyms

    • 3,7-Dimethyloctyl acetate
    • 20780-49-8
    • Tetrahydrogeranyl acetate
    • 1-OCTANOL, 3,7-DIMETHYL-, ACETATE
    • Dihydrocitronellyl acetate
    • 3,7-Dimethyloctanyl acetate
    • 3,7-Dimethyl-1-octanyl acetate
    • 3,7-Dimethyl-1-octanol, acetate
    • 3,7-Dimethyl-1-octyl acetate
    • 3,7-Dimethyloctanyl-1-acetate
    • EINECS 244-034-6
    • (R)-Dihydrocitronellol acetate
    • AI3-28806
    • 1-Octanol, 3,7-dimethyl-, 1-acetate
    • DTXSID6051851
    • dimethyl octanyl acetate
    • tetrahydro geranyl acetate
    • SCHEMBL872939
    • DTXCID0030407
    • CHEBI:179749
    • 1-Octanol,3,7-dimethyl-,1-acetate
    • AKOS024333645
    • NS00012232
    • 244-034-6

  • Applications

    1-Octanol, 3,7-dimethyl-, 1-acetate (CAS 20780-49-8) is a terpene acetate used primarily as a fragrance ingredient in fine fragrances, personal care (soaps, body washes, shampoos, lotions, deodorants), and home care products such as detergents, fabric softeners, hard-surface cleaners, scented candles, wax melts, and air-care formats; it imparts fresh citrus–floral–green notes with subtle fruity and woody facets, acting as a modifier, rounder, and soft fixative; it is also employed as a diluent/carrier in compounding, as a chemical intermediate for related odorants, and in R&D for microencapsulation and controlled-release systems to enhance bloom and fabric substantivity; formulators leverage its moderate volatility, hydrophobicity, and surfactant compatibility, while noting acetate esters may hydrolyze/saponify at high pH or elevated temperature, so pH control, stabilizers, or encapsulation are advisable; typical use levels range from trace to low single-digit percentages depending on application, with compliance to IFRA, GHS, allergen labeling, and local regulations; store tightly closed in a cool, dry place away from light and strong oxidizers to maintain quality.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6782.1
    methanol 6441.13
    isopropanol 5426.16
    water 0.62
    ethyl acetate 3101.59
    n-propanol 4139.53
    acetone 4441.59
    n-butanol 3547.62
    acetonitrile 2606.91
    DMF 2130.23
    toluene 862.79
    isobutanol 2824.93
    1,4-dioxane 4973.05
    methyl acetate 1945.44
    THF 6144.53
    2-butanone 2546.72
    n-pentanol 2426.42
    sec-butanol 3284.49
    n-hexane 782.87
    ethylene glycol 380.63
    NMP 1525.41
    cyclohexane 936.24
    DMSO 2478.08
    n-butyl acetate 2133.49
    n-octanol 839.96
    chloroform 4636.24
    n-propyl acetate 1802.12
    acetic acid 2406.83
    dichloromethane 3414.39
    cyclohexanone 3648.63
    propylene glycol 1001.33
    isopropyl acetate 2003.57
    DMAc 1406.64
    2-ethoxyethanol 2343.34
    isopentanol 2809.62
    n-heptane 309.45
    ethyl formate 1459.85
    1,2-dichloroethane 2180.81
    n-hexanol 2541.01
    2-methoxyethanol 3769.04
    isobutyl acetate 1097.61
    tetrachloromethane 718.57
    n-pentyl acetate 1146.83
    transcutol 5502.41
    n-heptanol 851.03
    ethylbenzene 519.13
    MIBK 1385.18
    2-propoxyethanol 2668.12
    tert-butanol 5093.55
    MTBE 3559.65
    2-butoxyethanol 1330.73
    propionic acid 1746.67
    o-xylene 502.6
    formic acid 517.14
    diethyl ether 3589.87
    m-xylene 627.91
    p-xylene 702.29
    chlorobenzene 1090.23
    dimethyl carbonate 270.51
    n-octane 96.52
    formamide 677.83
    cyclopentanone 2749.25
    2-pentanone 2421.44
    anisole 955.71
    cyclopentyl methyl ether 2620.77
    gamma-butyrolactone 2594.57
    1-methoxy-2-propanol 2805.36
    pyridine 2464.97
    3-pentanone 1241.29
    furfural 1842.8
    n-dodecane 57.36
    diethylene glycol 1294.97
    diisopropyl ether 925.39
    tert-amyl alcohol 3321.56
    acetylacetone 1975.58
    n-hexadecane 67.07
    acetophenone 750.26
    methyl propionate 1345.08
    isopentyl acetate 1860.15
    trichloroethylene 3319.89
    n-nonanol 689.79
    cyclohexanol 3061.1
    benzyl alcohol 879.33
    2-ethylhexanol 1326.58
    isooctanol 679.63
    dipropyl ether 1660.89
    1,2-dichlorobenzene 832.58
    ethyl lactate 553.87
    propylene carbonate 1507.56
    n-methylformamide 1250.67
    2-pentanol 2317.14
    n-pentane 442.25
    1-propoxy-2-propanol 2175.06
    1-methoxy-2-propyl acetate 1594.72
    2-(2-methoxypropoxy) propanol 948.46
    mesitylene 408.51
    ε-caprolactone 2915.42
    p-cymene 342.12
    epichlorohydrin 3173.6
    1,1,1-trichloroethane 2423.46
    2-aminoethanol 1359.21
    morpholine-4-carbaldehyde 2189.65
    sulfolane 2239.77
    2,2,4-trimethylpentane 174.53
    2-methyltetrahydrofuran 4885.29
    n-hexyl acetate 1646.56
    isooctane 157.5
    2-(2-butoxyethoxy)ethanol 1608.25
    sec-butyl acetate 1264.0
    tert-butyl acetate 1822.84
    decalin 278.05
    glycerin 780.47
    diglyme 2689.44
    acrylic acid 968.25
    isopropyl myristate 473.24
    n-butyric acid 3505.84
    acetyl acetate 1311.37
    di(2-ethylhexyl) phthalate 399.74
    ethyl propionate 1258.1
    nitromethane 2487.32
    1,2-diethoxyethane 2137.41
    benzonitrile 1174.35
    trioctyl phosphate 310.84
    1-bromopropane 1914.94
    gamma-valerolactone 3788.08
    n-decanol 449.96
    triethyl phosphate 397.86
    4-methyl-2-pentanol 1116.29
    propionitrile 1836.76
    vinylene carbonate 1192.84
    1,1,2-trichlorotrifluoroethane 1922.21
    DMS 661.26
    cumene 352.75
    2-octanol 628.63
    2-hexanone 1892.15
    octyl acetate 582.4
    limonene 665.2
    1,2-dimethoxyethane 3564.15
    ethyl orthosilicate 435.47
    tributyl phosphate 421.49
    diacetone alcohol 1787.39
    N,N-dimethylaniline 552.18
    acrylonitrile 1519.48
    aniline 1312.08
    1,3-propanediol 2137.72
    bromobenzene 1148.04
    dibromomethane 2618.4
    1,1,2,2-tetrachloroethane 3127.81
    2-methyl-cyclohexyl acetate 893.7
    tetrabutyl urea 468.25
    diisobutyl methanol 635.35
    2-phenylethanol 951.71
    styrene 655.14
    dioctyl adipate 670.09
    dimethyl sulfate 371.52
    ethyl butyrate 1380.74
    methyl lactate 564.62
    butyl lactate 799.58
    diethyl carbonate 685.82
    propanediol butyl ether 1225.92
    triethyl orthoformate 847.91
    p-tert-butyltoluene 345.38
    methyl 4-tert-butylbenzoate 665.1
    morpholine 6884.36
    tert-butylamine 3253.26
    n-dodecanol 321.38
    dimethoxymethane 1519.93
    ethylene carbonate 1249.82
    cyrene 698.28
    2-ethoxyethyl acetate 1222.99
    2-ethylhexyl acetate 1367.29
    1,2,4-trichlorobenzene 1003.22
    4-methylpyridine 2427.74
    dibutyl ether 1379.01
    2,6-dimethyl-4-heptanol 635.35
    DEF 1792.68
    dimethyl isosorbide 1379.54
    tetrachloroethylene 1879.83
    eugenol 634.88
    triacetin 1013.43
    span 80 1048.02
    1,4-butanediol 739.41
    1,1-dichloroethane 2989.89
    2-methyl-1-pentanol 1725.46
    methyl formate 740.86
    2-methyl-1-butanol 2242.89
    n-decane 126.4
    butyronitrile 2706.29
    3,7-dimethyl-1-octanol 846.29
    1-chlorooctane 523.25
    1-chlorotetradecane 162.02
    n-nonane 139.2
    undecane 79.04
    tert-butylcyclohexane 270.93
    cyclooctane 220.38
    cyclopentanol 2789.73
    tetrahydropyran 6434.22
    tert-amyl methyl ether 1870.12
    2,5,8-trioxanonane 1542.06
    1-hexene 2090.51
    2-isopropoxyethanol 1556.15
    2,2,2-trifluoroethanol 440.39
    methyl butyrate 1855.94

    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
Mentha x gentilis nm. hirtella Mentha x gentilis (L.) nm hirtella Markl., fam Lamiaceae (Labiatae) 2.9%