7-Octen-1-ol, 3,7-dimethyl-, 1-formate

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  • Identifiers

    CAS number
    141-09-3

    Molecular formula
    C11H20O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 90.04%
    Rose 77.34%
    Fruity 76.66%
    Green 67.89%
    Citrus 66.06%
    Fresh 62.66%
    Waxy 62.57%
    Sweet 60.82%
    Geranium 47.39%
    Aldehydic 40.23%

     

    Flavor
    Floral 61.73%
    Green 56.07%
    Bitter 52.26%
    Rose 48.74%
    Waxy 44.94%
    Fruity 38.12%
    Geranium 37.16%
    Citrus 34.86%
    Fresh 34.67%
    Herbal 32.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.39 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    223°C

    Flash point

    • 79.05 ˚C est.

    Solubility expt.

    • soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water
    • 1 ml in 2 ml 80% alcohol gives clear soln (in ethanol)

  • Synonyms

    • Rhodinyl formate
    • 141-09-3
    • 3,7-dimethyloct-7-enyl formate
    • Rhodinyl methanoate
    • 7-Octen-1-ol, 3,7-dimethyl-, 1-formate
    • 7-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE
    • 3,7-Dimethyl-7-octen-1-yl methanoate
    • EINECS 205-456-6
    • DTXSID90861809
    • 3,7-DIMETHYLOCT-7-EN-1-YL FORMATE
    • SCHEMBL3506761
    • 3,7-dimethyloct-7-enyl ormate
    • FEMA 2984
    • DTXCID40810685
    • CHEBI:172076
    • VMBKZHMLQXCNCP-UHFFFAOYSA-N
    • NS00013175

  • Applications

    7-Octen-1-ol, 3,7-dimethyl-, 1-formate (CAS 141-09-3) is used primarily as an intermediate and as an aroma compound in fragrance chemistry; it can function as an odorant or fragrance ingredient and may act as a fixative in perfumery. It may be applied in cosmetics and personal care as a fragrance component. In food contexts, it may be evaluated for flavor/aroma use. In industrial manufacturing, it serves as an intermediate for the synthesis of more complex terpenoid derivatives and can function as a solvent or processing aid in coatings and inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7716.02
    methanol 7436.59
    isopropanol 4977.35
    water 0.39
    ethyl acetate 3705.19
    n-propanol 4427.64
    acetone 4164.87
    n-butanol 3645.76
    acetonitrile 2735.46
    DMF 1883.1
    toluene 525.42
    isobutanol 2413.54
    1,4-dioxane 4301.95
    methyl acetate 2086.81
    THF 5285.66
    2-butanone 2841.73
    n-pentanol 2095.28
    sec-butanol 2955.11
    n-hexane 94.81
    ethylene glycol 460.66
    NMP 907.91
    cyclohexane 191.11
    DMSO 2730.85
    n-butyl acetate 1752.24
    n-octanol 378.51
    chloroform 3143.63
    n-propyl acetate 1636.49
    acetic acid 2819.95
    dichloromethane 2879.32
    cyclohexanone 2920.91
    propylene glycol 1119.4
    isopropyl acetate 1769.45
    DMAc 1031.34
    2-ethoxyethanol 2534.83
    isopentanol 2392.98
    n-heptane 56.58
    ethyl formate 1650.32
    1,2-dichloroethane 2023.79
    n-hexanol 1776.35
    2-methoxyethanol 4904.23
    isobutyl acetate 800.97
    tetrachloromethane 287.35
    n-pentyl acetate 638.13
    transcutol 5901.41
    n-heptanol 397.7
    ethylbenzene 252.01
    MIBK 1136.57
    2-propoxyethanol 2540.46
    tert-butanol 3844.28
    MTBE 2208.8
    2-butoxyethanol 915.23
    propionic acid 1738.71
    o-xylene 260.82
    formic acid 697.02
    diethyl ether 2681.82
    m-xylene 386.16
    p-xylene 311.09
    chlorobenzene 692.81
    dimethyl carbonate 301.39
    n-octane 17.53
    formamide 1073.96
    cyclopentanone 2377.83
    2-pentanone 2560.04
    anisole 728.17
    cyclopentyl methyl ether 1913.47
    gamma-butyrolactone 2453.2
    1-methoxy-2-propanol 3367.92
    pyridine 2278.35
    3-pentanone 1027.87
    furfural 1682.12
    n-dodecane 12.35
    diethylene glycol 1428.06
    diisopropyl ether 452.4
    tert-amyl alcohol 2205.9
    acetylacetone 1917.87
    n-hexadecane 14.75
    acetophenone 568.06
    methyl propionate 1523.52
    isopentyl acetate 1388.28
    trichloroethylene 3453.83
    n-nonanol 308.33
    cyclohexanol 2149.86
    benzyl alcohol 710.25
    2-ethylhexanol 700.91
    isooctanol 317.95
    dipropyl ether 896.73
    1,2-dichlorobenzene 508.48
    ethyl lactate 481.1
    propylene carbonate 1254.97
    n-methylformamide 1548.47
    2-pentanol 2043.94
    n-pentane 89.38
    1-propoxy-2-propanol 1831.75
    1-methoxy-2-propyl acetate 1487.09
    2-(2-methoxypropoxy) propanol 710.91
    mesitylene 207.4
    ε-caprolactone 2238.79
    p-cymene 164.29
    epichlorohydrin 3637.15
    1,1,1-trichloroethane 1574.51
    2-aminoethanol 1677.02
    morpholine-4-carbaldehyde 1754.77
    sulfolane 1642.98
    2,2,4-trimethylpentane 44.2
    2-methyltetrahydrofuran 3877.56
    n-hexyl acetate 857.07
    isooctane 44.19
    2-(2-butoxyethoxy)ethanol 1217.78
    sec-butyl acetate 972.79
    tert-butyl acetate 1420.1
    decalin 59.84
    glycerin 876.43
    diglyme 2303.65
    acrylic acid 966.66
    isopropyl myristate 245.11
    n-butyric acid 3601.55
    acetyl acetate 1215.91
    di(2-ethylhexyl) phthalate 217.95
    ethyl propionate 1093.12
    nitromethane 3380.15
    1,2-diethoxyethane 1762.33
    benzonitrile 836.25
    trioctyl phosphate 153.71
    1-bromopropane 1252.16
    gamma-valerolactone 3463.67
    n-decanol 207.51
    triethyl phosphate 256.82
    4-methyl-2-pentanol 816.89
    propionitrile 1843.68
    vinylene carbonate 1025.69
    1,1,2-trichlorotrifluoroethane 1670.78
    DMS 487.07
    cumene 165.06
    2-octanol 261.23
    2-hexanone 1590.99
    octyl acetate 295.51
    limonene 312.29
    1,2-dimethoxyethane 3399.38
    ethyl orthosilicate 278.44
    tributyl phosphate 223.29
    diacetone alcohol 1586.3
    N,N-dimethylaniline 326.32
    acrylonitrile 1705.96
    aniline 978.96
    1,3-propanediol 2556.57
    bromobenzene 661.71
    dibromomethane 1801.73
    1,1,2,2-tetrachloroethane 2361.23
    2-methyl-cyclohexyl acetate 554.07
    tetrabutyl urea 244.89
    diisobutyl methanol 376.71
    2-phenylethanol 689.81
    styrene 341.71
    dioctyl adipate 370.13
    dimethyl sulfate 327.87
    ethyl butyrate 1033.42
    methyl lactate 569.37
    butyl lactate 482.55
    diethyl carbonate 536.48
    propanediol butyl ether 851.12
    triethyl orthoformate 571.05
    p-tert-butyltoluene 166.82
    methyl 4-tert-butylbenzoate 420.35
    morpholine 6671.41
    tert-butylamine 1933.23
    n-dodecanol 139.36
    dimethoxymethane 1605.93
    ethylene carbonate 999.67
    cyrene 497.38
    2-ethoxyethyl acetate 958.34
    2-ethylhexyl acetate 893.1
    1,2,4-trichlorobenzene 607.4
    4-methylpyridine 1967.54
    dibutyl ether 595.69
    2,6-dimethyl-4-heptanol 376.71
    DEF 1705.43
    dimethyl isosorbide 1038.31
    tetrachloroethylene 1400.8
    eugenol 444.72
    triacetin 624.07
    span 80 627.94
    1,4-butanediol 722.91
    1,1-dichloroethane 2235.35
    2-methyl-1-pentanol 1271.38
    methyl formate 901.85
    2-methyl-1-butanol 1853.01
    n-decane 25.29
    butyronitrile 2638.34
    3,7-dimethyl-1-octanol 442.8
    1-chlorooctane 174.37
    1-chlorotetradecane 52.75
    n-nonane 25.45
    undecane 16.66
    tert-butylcyclohexane 65.17
    cyclooctane 38.69
    cyclopentanol 1896.39
    tetrahydropyran 5276.82
    tert-amyl methyl ether 1125.51
    2,5,8-trioxanonane 1212.22
    1-hexene 659.15
    2-isopropoxyethanol 1403.9
    2,2,2-trifluoroethanol 404.55
    methyl butyrate 1656.8

    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