1-Octanol, 3,7-dimethyl-, 1-formate

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  • Identifiers

    CAS number
    68214-06-2

    Molecular formula
    C11H22O2

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

  • Odor profile

    Floral 81.45%
    Green 76.24%
    Fruity 67.46%
    Fresh 62.11%
    Rose 61.87%
    Citrus 54.9%
    Sweet 53.28%
    Waxy 52.17%
    Herbal 49.37%
    Aldehydic 39.49%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point est.
    81.84 ˚C

  • Synonyms

    • 3,7-Dimethyloctyl formate
    • 68214-06-2
    • 3,7-Dimethyl-6-octenyl formate
    • 1-Octanol, 3,7-dimethyl-, formate
    • 1-Octanol, 3,7-dimethyl-, 1-formate
    • EINECS 269-285-9
    • DTXSID60887278
    • WE(8:1(6)(3Me,7Me)/1:0)
    • Tetrahydrogeranyl formate
    • 3,7-Dimethyl-1-octyl formate
    • 3,7-dimethyloctyl ormate
    • GYU6EQ99VV
    • SCHEMBL532294
    • AGARWNGUJKCDII-UHFFFAOYSA-N
    • CHEBI:179390
    • DTXCID801026582
    • LMFA07010606
    • 1-Octanol,3,7-dimethyl-,1-formate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4008.19
    methanol 3032.68
    isopropanol 3331.32
    water 0.13
    ethyl acetate 2709.59
    n-propanol 2730.96
    acetone 3381.26
    n-butanol 2362.01
    acetonitrile 1772.91
    DMF 1413.27
    toluene 524.79
    isobutanol 1769.42
    1,4-dioxane 2785.9
    methyl acetate 1488.69
    THF 4700.71
    2-butanone 2310.24
    n-pentanol 1554.25
    sec-butanol 2068.22
    n-hexane 315.03
    ethylene glycol 199.5
    NMP 947.61
    cyclohexane 479.92
    DMSO 2085.9
    n-butyl acetate 1943.07
    n-octanol 427.9
    chloroform 2980.87
    n-propyl acetate 1592.23
    acetic acid 1571.46
    dichloromethane 2747.75
    cyclohexanone 3064.64
    propylene glycol 559.77
    isopropyl acetate 1549.85
    DMAc 767.79
    2-ethoxyethanol 1538.32
    isopentanol 1844.02
    n-heptane 156.9
    ethyl formate 1138.09
    1,2-dichloroethane 2080.6
    n-hexanol 1728.56
    2-methoxyethanol 2602.25
    isobutyl acetate 885.13
    tetrachloromethane 445.01
    n-pentyl acetate 767.4
    transcutol 3874.44
    n-heptanol 476.5
    ethylbenzene 316.42
    MIBK 1130.15
    2-propoxyethanol 1961.77
    tert-butanol 3162.0
    MTBE 2190.94
    2-butoxyethanol 888.26
    propionic acid 1256.74
    o-xylene 314.96
    formic acid 288.48
    diethyl ether 2339.62
    m-xylene 421.52
    p-xylene 423.89
    chlorobenzene 795.01
    dimethyl carbonate 206.0
    n-octane 49.12
    formamide 466.62
    cyclopentanone 2543.14
    2-pentanone 2292.99
    anisole 658.86
    cyclopentyl methyl ether 1965.13
    gamma-butyrolactone 2387.82
    1-methoxy-2-propanol 2157.84
    pyridine 1781.16
    3-pentanone 1011.64
    furfural 1507.59
    n-dodecane 26.96
    diethylene glycol 937.9
    diisopropyl ether 574.64
    tert-amyl alcohol 1911.65
    acetylacetone 1637.52
    n-hexadecane 32.17
    acetophenone 563.32
    methyl propionate 1173.72
    isopentyl acetate 1581.58
    trichloroethylene 3273.05
    n-nonanol 350.74
    cyclohexanol 1973.89
    benzyl alcohol 559.05
    2-ethylhexanol 860.16
    isooctanol 395.21
    dipropyl ether 1223.54
    1,2-dichlorobenzene 652.03
    ethyl lactate 436.47
    propylene carbonate 1290.6
    n-methylformamide 944.51
    2-pentanol 1663.56
    n-pentane 213.89
    1-propoxy-2-propanol 1720.21
    1-methoxy-2-propyl acetate 1384.81
    2-(2-methoxypropoxy) propanol 630.38
    mesitylene 270.15
    ε-caprolactone 2256.56
    p-cymene 232.57
    epichlorohydrin 2981.2
    1,1,1-trichloroethane 1854.07
    2-aminoethanol 774.38
    morpholine-4-carbaldehyde 1372.18
    sulfolane 2048.15
    2,2,4-trimethylpentane 91.25
    2-methyltetrahydrofuran 3538.94
    n-hexyl acetate 961.55
    isooctane 88.21
    2-(2-butoxyethoxy)ethanol 989.73
    sec-butyl acetate 1036.67
    tert-butyl acetate 1387.95
    decalin 140.09
    glycerin 467.01
    diglyme 1862.13
    acrylic acid 710.24
    isopropyl myristate 299.69
    n-butyric acid 2764.89
    acetyl acetate 945.46
    di(2-ethylhexyl) phthalate 247.51
    ethyl propionate 1088.68
    nitromethane 1967.6
    1,2-diethoxyethane 1501.15
    benzonitrile 791.12
    trioctyl phosphate 194.22
    1-bromopropane 1548.65
    gamma-valerolactone 3142.93
    n-decanol 237.64
    triethyl phosphate 306.58
    4-methyl-2-pentanol 790.52
    propionitrile 1454.27
    vinylene carbonate 947.3
    1,1,2-trichlorotrifluoroethane 1469.65
    DMS 454.0
    cumene 222.73
    2-octanol 327.11
    2-hexanone 1613.0
    octyl acetate 354.62
    limonene 460.81
    1,2-dimethoxyethane 2380.56
    ethyl orthosilicate 330.28
    tributyl phosphate 266.48
    diacetone alcohol 1405.26
    N,N-dimethylaniline 343.03
    acrylonitrile 1269.34
    aniline 789.17
    1,3-propanediol 1362.68
    bromobenzene 812.9
    dibromomethane 2007.59
    1,1,2,2-tetrachloroethane 2497.28
    2-methyl-cyclohexyl acetate 692.38
    tetrabutyl urea 293.22
    diisobutyl methanol 482.71
    2-phenylethanol 641.77
    styrene 390.07
    dioctyl adipate 419.36
    dimethyl sulfate 297.92
    ethyl butyrate 1178.89
    methyl lactate 434.38
    butyl lactate 558.66
    diethyl carbonate 569.79
    propanediol butyl ether 721.32
    triethyl orthoformate 656.05
    p-tert-butyltoluene 236.71
    methyl 4-tert-butylbenzoate 469.1
    morpholine 4206.93
    tert-butylamine 1856.08
    n-dodecanol 169.73
    dimethoxymethane 1095.38
    ethylene carbonate 944.13
    cyrene 479.16
    2-ethoxyethyl acetate 862.79
    2-ethylhexyl acetate 1104.92
    1,2,4-trichlorobenzene 728.49
    4-methylpyridine 1642.16
    dibutyl ether 796.43
    2,6-dimethyl-4-heptanol 482.71
    DEF 1433.89
    dimethyl isosorbide 1026.71
    tetrachloroethylene 1538.5
    eugenol 446.8
    triacetin 633.15
    span 80 629.23
    1,4-butanediol 450.26
    1,1-dichloroethane 2444.15
    2-methyl-1-pentanol 1071.4
    methyl formate 528.47
    2-methyl-1-butanol 1433.91
    n-decane 58.14
    butyronitrile 2046.35
    3,7-dimethyl-1-octanol 497.49
    1-chlorooctane 289.14
    1-chlorotetradecane 88.07
    n-nonane 63.23
    undecane 37.7
    tert-butylcyclohexane 138.69
    cyclooctane 103.96
    cyclopentanol 1866.33
    tetrahydropyran 4500.37
    tert-amyl methyl ether 1167.95
    2,5,8-trioxanonane 985.74
    1-hexene 1191.91
    2-isopropoxyethanol 1053.92
    2,2,2-trifluoroethanol 280.18
    methyl butyrate 1604.54

    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