7-Methyl-1-octyl formate

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  • Identifiers

    CAS number
    96097-17-5

    Molecular formula
    C10H20O2

    SMILES
    CC(C)CCCCCCOC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 76.14%
    Fruity 72.21%
    Floral 66.66%
    Sweet 59.71%
    Fresh 58.55%
    Waxy 55.56%
    Rose 53.22%
    Citrus 52.46%
    Herbal 49.33%
    Aldehydic 38.9%

     

    Flavor
    Waxy 62.12%
    Green 59.87%
    Floral 56.21%
    Rose 55.91%
    Bitter 41.46%
    Fresh 40.13%
    Fruity 39.03%
    Clean 37.47%
    Citrus 35.49%
    Oily 34.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.87 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    208°C

    Flash point

    • 77.83 ˚C est.

  • Synonyms

    • 7-Methyl-1-octyl formate
    • 96097-17-5
    • 7-methyloctyl formate
    • Isononyl formate
    • 65155-46-6
    • EINECS 265-574-9
    • EINECS 306-096-3
    • J7D4Z7ZXZ8
    • SCHEMBL93134
    • SCHEMBL3030885
    • DTXSID90914662
    • YHHQTENWSYRAKA-UHFFFAOYSA-N
    • 1-Octanol, 7-methyl-, 1-formate
    • 65155-46-6

  • Applications

    7-Methyl-1-octyl formate (CAS 96097-17-5) is the formate ester of formic acid with the 7-methyl-1-octanol. In practical terms, it is primarily used as a fragrance ingredient and odorant in perfumery, often serving as a fixative or contributing a warm, fatty note in professional formulations. It can also act as a solvent or carrier for other fragrance and cosmetic ingredients in personal care products and household goods. In industrial manufacturing, it serves as an intermediate or solvent for the synthesis of fragrance-related chemicals and can be employed in coating and ink formulations where compatible esters are desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4116.78
    methanol 3841.81
    isopropanol 3625.17
    water 0.07
    ethyl acetate 3345.66
    n-propanol 3111.02
    acetone 5188.6
    n-butanol 2687.48
    acetonitrile 2195.2
    DMF 2202.77
    toluene 681.82
    isobutanol 2090.63
    1,4-dioxane 2811.68
    methyl acetate 1879.0
    THF 5332.59
    2-butanone 3366.96
    n-pentanol 1810.71
    sec-butanol 2466.58
    n-hexane 509.74
    ethylene glycol 251.65
    NMP 1273.5
    cyclohexane 565.0
    DMSO 3231.65
    n-butyl acetate 2444.93
    n-octanol 479.91
    chloroform 3418.63
    n-propyl acetate 2127.55
    acetic acid 1748.81
    dichloromethane 3325.18
    cyclohexanone 3888.17
    propylene glycol 628.67
    isopropyl acetate 1959.62
    DMAc 1087.51
    2-ethoxyethanol 1827.36
    isopentanol 2276.2
    n-heptane 187.04
    ethyl formate 1319.01
    1,2-dichloroethane 2783.26
    n-hexanol 1820.39
    2-methoxyethanol 3152.75
    isobutyl acetate 1161.26
    tetrachloromethane 542.61
    n-pentyl acetate 943.56
    transcutol 4939.22
    n-heptanol 514.67
    ethylbenzene 378.52
    MIBK 1539.1
    2-propoxyethanol 2348.25
    tert-butanol 3916.32
    MTBE 3028.33
    2-butoxyethanol 1041.62
    propionic acid 1496.19
    o-xylene 373.72
    formic acid 305.41
    diethyl ether 3309.41
    m-xylene 504.25
    p-xylene 482.34
    chlorobenzene 939.17
    dimethyl carbonate 284.24
    n-octane 61.03
    formamide 511.51
    cyclopentanone 3389.1
    2-pentanone 3329.81
    anisole 781.58
    cyclopentyl methyl ether 2615.36
    gamma-butyrolactone 2860.16
    1-methoxy-2-propanol 2657.92
    pyridine 2157.72
    3-pentanone 1518.02
    furfural 1798.47
    n-dodecane 32.58
    diethylene glycol 1148.71
    diisopropyl ether 777.62
    tert-amyl alcohol 2382.97
    acetylacetone 2180.15
    n-hexadecane 38.96
    acetophenone 682.29
    methyl propionate 1629.96
    isopentyl acetate 1908.89
    trichloroethylene 4086.72
    n-nonanol 399.96
    cyclohexanol 2150.83
    benzyl alcohol 670.07
    2-ethylhexanol 968.09
    isooctanol 441.97
    dipropyl ether 1490.47
    1,2-dichlorobenzene 783.61
    ethyl lactate 515.33
    propylene carbonate 1460.57
    n-methylformamide 1300.74
    2-pentanol 1980.55
    n-pentane 302.0
    1-propoxy-2-propanol 2060.95
    1-methoxy-2-propyl acetate 1662.44
    2-(2-methoxypropoxy) propanol 743.41
    mesitylene 328.31
    ε-caprolactone 2492.95
    p-cymene 253.81
    epichlorohydrin 3602.45
    1,1,1-trichloroethane 2452.98
    2-aminoethanol 909.76
    morpholine-4-carbaldehyde 1664.79
    sulfolane 2654.54
    2,2,4-trimethylpentane 113.94
    2-methyltetrahydrofuran 4114.42
    n-hexyl acetate 1144.44
    isooctane 111.41
    2-(2-butoxyethoxy)ethanol 1130.45
    sec-butyl acetate 1324.75
    tert-butyl acetate 1835.71
    decalin 172.8
    glycerin 547.98
    diglyme 2197.98
    acrylic acid 868.24
    isopropyl myristate 355.94
    n-butyric acid 3162.9
    acetyl acetate 1084.28
    di(2-ethylhexyl) phthalate 268.24
    ethyl propionate 1447.72
    nitromethane 2436.14
    1,2-diethoxyethane 2012.78
    benzonitrile 909.52
    trioctyl phosphate 219.19
    1-bromopropane 2152.15
    gamma-valerolactone 3683.86
    n-decanol 268.15
    triethyl phosphate 358.2
    4-methyl-2-pentanol 912.41
    propionitrile 1923.88
    vinylene carbonate 1088.48
    1,1,2-trichlorotrifluoroethane 1875.32
    DMS 568.49
    cumene 257.48
    2-octanol 373.12
    2-hexanone 2239.57
    octyl acetate 412.57
    limonene 504.67
    1,2-dimethoxyethane 2997.1
    ethyl orthosilicate 385.14
    tributyl phosphate 313.56
    diacetone alcohol 1784.11
    N,N-dimethylaniline 412.64
    acrylonitrile 1714.56
    aniline 930.43
    1,3-propanediol 1503.3
    bromobenzene 1000.57
    dibromomethane 2532.94
    1,1,2,2-tetrachloroethane 3161.03
    2-methyl-cyclohexyl acetate 761.77
    tetrabutyl urea 354.13
    diisobutyl methanol 553.72
    2-phenylethanol 732.02
    styrene 512.38
    dioctyl adipate 495.52
    dimethyl sulfate 418.89
    ethyl butyrate 1391.57
    methyl lactate 555.73
    butyl lactate 670.65
    diethyl carbonate 652.16
    propanediol butyl ether 812.43
    triethyl orthoformate 750.06
    p-tert-butyltoluene 262.36
    methyl 4-tert-butylbenzoate 524.12
    morpholine 4426.29
    tert-butylamine 2264.02
    n-dodecanol 192.55
    dimethoxymethane 1562.19
    ethylene carbonate 1015.79
    cyrene 538.97
    2-ethoxyethyl acetate 1087.6
    2-ethylhexyl acetate 1289.88
    1,2,4-trichlorobenzene 849.7
    4-methylpyridine 2003.94
    dibutyl ether 1055.6
    2,6-dimethyl-4-heptanol 553.72
    DEF 2150.3
    dimethyl isosorbide 1165.89
    tetrachloroethylene 2022.82
    eugenol 512.32
    triacetin 749.23
    span 80 721.71
    1,4-butanediol 511.33
    1,1-dichloroethane 3320.76
    2-methyl-1-pentanol 1352.22
    methyl formate 710.3
    2-methyl-1-butanol 1765.47
    n-decane 72.73
    butyronitrile 2538.35
    3,7-dimethyl-1-octanol 578.24
    1-chlorooctane 361.21
    1-chlorotetradecane 106.81
    n-nonane 80.97
    undecane 46.25
    tert-butylcyclohexane 174.13
    cyclooctane 132.48
    cyclopentanol 2096.89
    tetrahydropyran 5023.38
    tert-amyl methyl ether 1622.8
    2,5,8-trioxanonane 1158.69
    1-hexene 1793.2
    2-isopropoxyethanol 1329.34
    2,2,2-trifluoroethanol 336.81
    methyl butyrate 2195.41

    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