Bis(2-methoxy-1-methylethyl) ethylphosphonate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H22O

    SMILES
    CC1CCC2=C(CCC(CC12)C(=C)C)C=O

  • Odor profile

    Green 61.55%
    Woody 53.04%
    Citrus 52.35%
    Fresh 50.54%
    Fatty 49.23%
    Aldehydic 47.26%
    Herbal 46.29%
    Spicy 43.59%
    Sweet 38.99%
    Fruity 38.54%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    102.2 ˚C

  • Synonyms

    • BEDIGDJDGGJUFI-UHFFFAOYSA-N
    • Guaja-1(10),11-dien-15-al
    • Bis(2-methoxy-1-methylethyl) ethylphosphonate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2153.35
    methanol 1861.82
    isopropanol 2489.75
    water 0.53
    ethyl acetate 2678.31
    n-propanol 2310.6
    acetone 2758.34
    n-butanol 1987.72
    acetonitrile 2640.96
    DMF 2436.51
    toluene 2638.0
    isobutanol 1545.39
    1,4-dioxane 4683.53
    methyl acetate 2311.81
    THF 4957.86
    2-butanone 2932.73
    n-pentanol 799.18
    sec-butanol 1427.99
    n-hexane 35.45
    ethylene glycol 141.82
    NMP 1047.9
    cyclohexane 183.78
    DMSO 1509.37
    n-butyl acetate 1628.97
    n-octanol 205.32
    chloroform 7685.8
    n-propyl acetate 1285.64
    acetic acid 841.71
    dichloromethane 6704.99
    cyclohexanone 3144.95
    propylene glycol 306.09
    isopropyl acetate 1407.08
    DMAc 1199.4
    2-ethoxyethanol 992.48
    isopentanol 1474.81
    n-heptane 30.57
    ethyl formate 1780.68
    1,2-dichloroethane 3684.29
    n-hexanol 933.15
    2-methoxyethanol 2189.07
    isobutyl acetate 699.63
    tetrachloromethane 859.24
    n-pentyl acetate 662.24
    transcutol 3754.1
    n-heptanol 286.85
    ethylbenzene 678.13
    MIBK 965.05
    2-propoxyethanol 1508.01
    tert-butanol 1730.06
    MTBE 1689.34
    2-butoxyethanol 685.04
    propionic acid 1025.44
    o-xylene 859.89
    formic acid 234.45
    diethyl ether 2144.66
    m-xylene 1097.3
    p-xylene 831.24
    chlorobenzene 2305.69
    dimethyl carbonate 563.16
    n-octane 12.52
    formamide 603.2
    cyclopentanone 3200.07
    2-pentanone 1997.37
    anisole 1279.5
    cyclopentyl methyl ether 1518.3
    gamma-butyrolactone 3009.26
    1-methoxy-2-propanol 1642.43
    pyridine 5350.38
    3-pentanone 1202.04
    furfural 2443.84
    n-dodecane 10.49
    diethylene glycol 788.15
    diisopropyl ether 399.96
    tert-amyl alcohol 922.07
    acetylacetone 1699.3
    n-hexadecane 13.33
    acetophenone 964.26
    methyl propionate 1453.96
    isopentyl acetate 1290.99
    trichloroethylene 6620.54
    n-nonanol 179.36
    cyclohexanol 1289.64
    benzyl alcohol 1069.12
    2-ethylhexanol 417.86
    isooctanol 240.48
    dipropyl ether 547.71
    1,2-dichlorobenzene 1516.58
    ethyl lactate 357.43
    propylene carbonate 1510.17
    n-methylformamide 1604.35
    2-pentanol 1024.72
    n-pentane 66.16
    1-propoxy-2-propanol 1081.81
    1-methoxy-2-propyl acetate 1265.75
    2-(2-methoxypropoxy) propanol 510.72
    mesitylene 509.35
    ε-caprolactone 2367.79
    p-cymene 290.56
    epichlorohydrin 4432.18
    1,1,1-trichloroethane 3181.1
    2-aminoethanol 501.92
    morpholine-4-carbaldehyde 1920.92
    sulfolane 1553.06
    2,2,4-trimethylpentane 36.72
    2-methyltetrahydrofuran 3300.61
    n-hexyl acetate 718.53
    isooctane 41.55
    2-(2-butoxyethoxy)ethanol 827.17
    sec-butyl acetate 745.66
    tert-butyl acetate 1038.49
    decalin 67.35
    glycerin 315.03
    diglyme 1950.75
    acrylic acid 689.48
    isopropyl myristate 220.29
    n-butyric acid 1986.23
    acetyl acetate 1073.42
    di(2-ethylhexyl) phthalate 246.87
    ethyl propionate 911.55
    nitromethane 2120.32
    1,2-diethoxyethane 1515.35
    benzonitrile 2029.1
    trioctyl phosphate 144.69
    1-bromopropane 1917.43
    gamma-valerolactone 3430.92
    n-decanol 124.74
    triethyl phosphate 257.51
    4-methyl-2-pentanol 496.25
    propionitrile 2300.64
    vinylene carbonate 1621.0
    1,1,2-trichlorotrifluoroethane 1492.19
    DMS 688.63
    cumene 335.64
    2-octanol 174.9
    2-hexanone 1089.73
    octyl acetate 273.78
    limonene 354.73
    1,2-dimethoxyethane 2301.48
    ethyl orthosilicate 257.94
    tributyl phosphate 202.54
    diacetone alcohol 865.17
    N,N-dimethylaniline 564.52
    acrylonitrile 2547.04
    aniline 2193.02
    1,3-propanediol 1113.59
    bromobenzene 2434.09
    dibromomethane 3974.2
    1,1,2,2-tetrachloroethane 4120.41
    2-methyl-cyclohexyl acetate 477.59
    tetrabutyl urea 237.07
    diisobutyl methanol 265.51
    2-phenylethanol 1002.16
    styrene 947.44
    dioctyl adipate 313.2
    dimethyl sulfate 519.55
    ethyl butyrate 888.13
    methyl lactate 480.07
    butyl lactate 454.22
    diethyl carbonate 543.45
    propanediol butyl ether 511.21
    triethyl orthoformate 505.08
    p-tert-butyltoluene 277.05
    methyl 4-tert-butylbenzoate 517.93
    morpholine 5395.0
    tert-butylamine 982.29
    n-dodecanol 92.98
    dimethoxymethane 1860.39
    ethylene carbonate 1505.55
    cyrene 456.94
    2-ethoxyethyl acetate 1058.52
    2-ethylhexyl acetate 863.6
    1,2,4-trichlorobenzene 1632.38
    4-methylpyridine 4321.1
    dibutyl ether 393.97
    2,6-dimethyl-4-heptanol 265.51
    DEF 1470.03
    dimethyl isosorbide 926.94
    tetrachloroethylene 2489.84
    eugenol 532.37
    triacetin 599.96
    span 80 403.77
    1,4-butanediol 279.29
    1,1-dichloroethane 4142.83
    2-methyl-1-pentanol 644.77
    methyl formate 1153.63
    2-methyl-1-butanol 1162.01
    n-decane 18.64
    butyronitrile 2399.92
    3,7-dimethyl-1-octanol 283.58
    1-chlorooctane 153.4
    1-chlorotetradecane 52.36
    n-nonane 16.32
    undecane 13.36
    tert-butylcyclohexane 56.64
    cyclooctane 44.07
    cyclopentanol 1277.69
    tetrahydropyran 4831.43
    tert-amyl methyl ether 674.78
    2,5,8-trioxanonane 959.71
    1-hexene 309.66
    2-isopropoxyethanol 669.74
    2,2,2-trifluoroethanol 300.53
    methyl butyrate 1385.98

    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
Agarwood 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 1.5%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.3%