3,7-Dimethyloct-6-en-1-yl (2R)-2-hydroxypropanoate

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  • Identifiers

    CAS number
    211238-85-6

    Molecular formula
    C13H24O3

    SMILES
    C[C@H](C(=O)OCCC(C)CCC=C(C)C)O

  • Odor profile

    Fragrance
    Floral 84.93%
    Rose 60.02%
    Sweet 59.76%
    Waxy 51.19%
    Fresh 41.96%
    Lily 40.97%
    Green 37.85%
    Muguet 37.83%
    Citrus 36.56%
    Fruity 34.44%

     

    Flavor
    Fruity 64.49%
    Waxy 54.97%
    Green 54.04%
    Sweet 52.87%
    Floral 49.44%
    Tropical 42.43%
    Rose 39.93%
    Oily 36.01%
    Geranium 29.06%
    Herbal 28.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.49 (weak base)

    Molecular weight
    228.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 126.93 ˚C est.

  • Synonyms

    • 211238-85-6
    • DTXSID40725023
    • 3,7-Dimethyloct-6-en-1-yl (2R)-2-hydroxypropanoate

  • Applications

    3,7-Dimethyloct-6-en-1-yl (2R)-2-hydroxypropanoate, CAS 211238-85-6, is an ester of lactic acid with a terpenoid alcohol and is commonly used as a fragrance ingredient and fixative to extend scent in perfumery. It is also used in cosmetics and personal care formulations as an aroma component. In food applications it may be evaluated as a flavor/aroma additive under local regulations. It is also employed in household products and cleaning products as a fragrance ingredient, and may serve as an intermediate in the synthesis of fragrances for coatings and inks. It can further function as an intermediate in fragrance/flavor synthesis, leveraging its chiral lactic acid moiety in synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2086.57
    methanol 2628.24
    isopropanol 1291.76
    water 0.5
    ethyl acetate 1024.02
    n-propanol 1191.16
    acetone 789.01
    n-butanol 1153.33
    acetonitrile 431.89
    DMF 438.67
    toluene 189.5
    isobutanol 727.87
    1,4-dioxane 1502.8
    methyl acetate 516.74
    THF 1537.88
    2-butanone 646.35
    n-pentanol 772.65
    sec-butanol 1061.41
    n-hexane 60.33
    ethylene glycol 117.81
    NMP 331.07
    cyclohexane 111.26
    DMSO 728.35
    n-butyl acetate 529.33
    n-octanol 225.18
    chloroform 803.75
    n-propyl acetate 477.46
    acetic acid 831.46
    dichloromethane 669.91
    cyclohexanone 754.03
    propylene glycol 300.37
    isopropyl acetate 554.57
    DMAc 456.76
    2-ethoxyethanol 1043.56
    isopentanol 921.27
    n-heptane 24.72
    ethyl formate 370.12
    1,2-dichloroethane 488.52
    n-hexanol 683.24
    2-methoxyethanol 1512.87
    isobutyl acetate 289.0
    tetrachloromethane 117.71
    n-pentyl acetate 277.47
    transcutol 2562.92
    n-heptanol 246.54
    ethylbenzene 135.8
    MIBK 391.0
    2-propoxyethanol 882.08
    tert-butanol 1547.0
    MTBE 1125.55
    2-butoxyethanol 456.02
    propionic acid 416.21
    o-xylene 156.17
    formic acid 248.02
    diethyl ether 941.52
    m-xylene 171.54
    p-xylene 175.76
    chlorobenzene 226.06
    dimethyl carbonate 87.67
    n-octane 12.91
    formamide 347.3
    cyclopentanone 568.95
    2-pentanone 674.51
    anisole 296.83
    cyclopentyl methyl ether 635.55
    gamma-butyrolactone 556.97
    1-methoxy-2-propanol 1027.82
    pyridine 500.87
    3-pentanone 329.55
    furfural 503.45
    n-dodecane 10.09
    diethylene glycol 545.96
    diisopropyl ether 224.28
    tert-amyl alcohol 1223.89
    acetylacetone 535.62
    n-hexadecane 11.64
    acetophenone 253.9
    methyl propionate 389.13
    isopentyl acetate 490.63
    trichloroethylene 839.59
    n-nonanol 194.46
    cyclohexanol 718.18
    benzyl alcohol 310.3
    2-ethylhexanol 330.74
    isooctanol 213.04
    dipropyl ether 262.0
    1,2-dichlorobenzene 207.26
    ethyl lactate 179.31
    propylene carbonate 355.42
    n-methylformamide 292.55
    2-pentanol 811.79
    n-pentane 53.12
    1-propoxy-2-propanol 595.91
    1-methoxy-2-propyl acetate 468.31
    2-(2-methoxypropoxy) propanol 405.81
    mesitylene 117.98
    ε-caprolactone 662.76
    p-cymene 89.98
    epichlorohydrin 858.57
    1,1,1-trichloroethane 425.42
    2-aminoethanol 461.27
    morpholine-4-carbaldehyde 639.51
    sulfolane 486.18
    2,2,4-trimethylpentane 44.09
    2-methyltetrahydrofuran 1225.05
    n-hexyl acetate 366.22
    isooctane 32.86
    2-(2-butoxyethoxy)ethanol 673.23
    sec-butyl acetate 366.09
    tert-butyl acetate 537.05
    decalin 48.83
    glycerin 314.84
    diglyme 1034.07
    acrylic acid 239.86
    isopropyl myristate 120.81
    n-butyric acid 893.74
    acetyl acetate 367.16
    di(2-ethylhexyl) phthalate 131.26
    ethyl propionate 340.14
    nitromethane 801.33
    1,2-diethoxyethane 693.87
    benzonitrile 254.53
    trioctyl phosphate 95.21
    1-bromopropane 330.24
    gamma-valerolactone 889.13
    n-decanol 133.98
    triethyl phosphate 119.88
    4-methyl-2-pentanol 386.72
    propionitrile 340.53
    vinylene carbonate 276.05
    1,1,2-trichlorotrifluoroethane 531.81
    DMS 205.58
    cumene 101.69
    2-octanol 171.78
    2-hexanone 440.89
    octyl acetate 161.56
    limonene 153.7
    1,2-dimethoxyethane 1148.8
    ethyl orthosilicate 139.79
    tributyl phosphate 119.53
    diacetone alcohol 597.39
    N,N-dimethylaniline 179.0
    acrylonitrile 292.97
    aniline 316.21
    1,3-propanediol 855.78
    bromobenzene 206.68
    dibromomethane 489.59
    1,1,2,2-tetrachloroethane 733.96
    2-methyl-cyclohexyl acetate 267.77
    tetrabutyl urea 131.09
    diisobutyl methanol 163.55
    2-phenylethanol 297.71
    styrene 151.42
    dioctyl adipate 189.98
    dimethyl sulfate 116.8
    ethyl butyrate 336.51
    methyl lactate 176.32
    butyl lactate 231.23
    diethyl carbonate 182.69
    propanediol butyl ether 449.77
    triethyl orthoformate 220.17
    p-tert-butyltoluene 89.2
    methyl 4-tert-butylbenzoate 234.12
    morpholine 1938.08
    tert-butylamine 846.9
    n-dodecanol 94.28
    dimethoxymethane 487.56
    ethylene carbonate 274.91
    cyrene 292.56
    2-ethoxyethyl acetate 407.65
    2-ethylhexyl acetate 352.88
    1,2,4-trichlorobenzene 244.24
    4-methylpyridine 483.88
    dibutyl ether 226.07
    2,6-dimethyl-4-heptanol 163.55
    DEF 523.49
    dimethyl isosorbide 516.36
    tetrachloroethylene 491.04
    eugenol 247.25
    triacetin 317.7
    span 80 371.51
    1,4-butanediol 318.22
    1,1-dichloroethane 494.96
    2-methyl-1-pentanol 637.13
    methyl formate 181.51
    2-methyl-1-butanol 770.53
    n-decane 18.89
    butyronitrile 526.0
    3,7-dimethyl-1-octanol 240.06
    1-chlorooctane 104.96
    1-chlorotetradecane 34.74
    n-nonane 17.97
    undecane 13.13
    tert-butylcyclohexane 47.26
    cyclooctane 30.05
    cyclopentanol 538.62
    tetrahydropyran 1466.13
    tert-amyl methyl ether 664.21
    2,5,8-trioxanonane 640.47
    1-hexene 252.86
    2-isopropoxyethanol 661.61
    2,2,2-trifluoroethanol 146.16
    methyl butyrate 473.18

    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