Diheptyl propylphosphonate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H22O2

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

  • Odor profile

    Woody 66.06%
    Spicy 43.62%
    Herbal 41.93%
    Sweet 39.85%
    Fresh 38.46%
    Dry 38.18%
    Green 36.73%
    Citrus 36.37%
    Balsamic 36.18%
    Mint 30.28%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Flash point est.
    138.87 ˚C

  • Synonyms

    • Diheptyl propylphosphonate
    • Guaia-1(10),11-dien-15-oic acid

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1678.83
    methanol 1886.61
    isopropanol 2021.68
    water 0.41
    ethyl acetate 762.22
    n-propanol 1846.21
    acetone 1176.59
    n-butanol 1485.01
    acetonitrile 615.8
    DMF 1877.33
    toluene 638.46
    isobutanol 1188.84
    1,4-dioxane 2019.8
    methyl acetate 696.01
    THF 2605.32
    2-butanone 1360.72
    n-pentanol 602.38
    sec-butanol 1152.63
    n-hexane 9.65
    ethylene glycol 127.41
    NMP 758.92
    cyclohexane 30.67
    DMSO 1224.92
    n-butyl acetate 551.28
    n-octanol 116.18
    chloroform 1687.59
    n-propyl acetate 391.54
    acetic acid 334.64
    dichloromethane 1370.6
    cyclohexanone 1272.53
    propylene glycol 281.05
    isopropyl acetate 505.24
    DMAc 865.69
    2-ethoxyethanol 675.04
    isopentanol 1037.28
    n-heptane 5.44
    ethyl formate 465.5
    1,2-dichloroethane 924.49
    n-hexanol 597.18
    2-methoxyethanol 1478.46
    isobutyl acetate 249.46
    tetrachloromethane 169.98
    n-pentyl acetate 256.25
    transcutol 1539.23
    n-heptanol 186.96
    ethylbenzene 194.56
    MIBK 486.83
    2-propoxyethanol 958.75
    tert-butanol 1403.29
    MTBE 883.86
    2-butoxyethanol 417.74
    propionic acid 458.77
    o-xylene 251.88
    formic acid 142.29
    diethyl ether 794.82
    m-xylene 332.47
    p-xylene 237.03
    chlorobenzene 544.17
    dimethyl carbonate 213.61
    n-octane 2.85
    formamide 350.6
    cyclopentanone 1557.55
    2-pentanone 950.83
    anisole 425.94
    cyclopentyl methyl ether 725.72
    gamma-butyrolactone 1211.9
    1-methoxy-2-propanol 1237.97
    pyridine 1598.86
    3-pentanone 500.99
    furfural 836.51
    n-dodecane 2.67
    diethylene glycol 534.16
    diisopropyl ether 145.13
    tert-amyl alcohol 768.28
    acetylacetone 638.75
    n-hexadecane 3.33
    acetophenone 333.99
    methyl propionate 559.33
    isopentyl acetate 509.45
    trichloroethylene 1634.32
    n-nonanol 103.41
    cyclohexanol 701.55
    benzyl alcohol 465.58
    2-ethylhexanol 201.53
    isooctanol 156.5
    dipropyl ether 163.72
    1,2-dichlorobenzene 377.89
    ethyl lactate 168.49
    propylene carbonate 520.85
    n-methylformamide 1001.68
    2-pentanol 742.83
    n-pentane 16.14
    1-propoxy-2-propanol 565.28
    1-methoxy-2-propyl acetate 500.35
    2-(2-methoxypropoxy) propanol 260.61
    mesitylene 158.45
    ε-caprolactone 881.51
    p-cymene 84.7
    epichlorohydrin 1716.93
    1,1,1-trichloroethane 614.47
    2-aminoethanol 463.2
    morpholine-4-carbaldehyde 956.87
    sulfolane 914.33
    2,2,4-trimethylpentane 12.24
    2-methyltetrahydrofuran 1545.21
    n-hexyl acetate 276.97
    isooctane 13.51
    2-(2-butoxyethoxy)ethanol 443.31
    sec-butyl acetate 265.94
    tert-butyl acetate 459.75
    decalin 15.79
    glycerin 298.86
    diglyme 829.98
    acrylic acid 297.22
    isopropyl myristate 82.97
    n-butyric acid 776.67
    acetyl acetate 264.49
    di(2-ethylhexyl) phthalate 109.94
    ethyl propionate 276.98
    nitromethane 693.73
    1,2-diethoxyethane 478.7
    benzonitrile 525.14
    trioctyl phosphate 73.62
    1-bromopropane 460.28
    gamma-valerolactone 1681.57
    n-decanol 70.27
    triethyl phosphate 90.7
    4-methyl-2-pentanol 329.45
    propionitrile 704.15
    vinylene carbonate 483.74
    1,1,2-trichlorotrifluoroethane 667.87
    DMS 239.04
    cumene 111.13
    2-octanol 118.39
    2-hexanone 428.28
    octyl acetate 110.4
    limonene 106.57
    1,2-dimethoxyethane 1079.27
    ethyl orthosilicate 91.35
    tributyl phosphate 86.2
    diacetone alcohol 535.38
    N,N-dimethylaniline 221.5
    acrylonitrile 747.17
    aniline 804.55
    1,3-propanediol 858.81
    bromobenzene 495.85
    dibromomethane 799.06
    1,1,2,2-tetrachloroethane 1166.58
    2-methyl-cyclohexyl acetate 186.8
    tetrabutyl urea 110.72
    diisobutyl methanol 117.83
    2-phenylethanol 434.3
    styrene 233.93
    dioctyl adipate 120.45
    dimethyl sulfate 259.17
    ethyl butyrate 248.3
    methyl lactate 244.12
    butyl lactate 223.3
    diethyl carbonate 146.32
    propanediol butyl ether 359.73
    triethyl orthoformate 153.54
    p-tert-butyltoluene 87.94
    methyl 4-tert-butylbenzoate 229.73
    morpholine 2879.79
    tert-butylamine 586.15
    n-dodecanol 47.89
    dimethoxymethane 1032.72
    ethylene carbonate 429.33
    cyrene 277.38
    2-ethoxyethyl acetate 399.39
    2-ethylhexyl acetate 337.82
    1,2,4-trichlorobenzene 442.97
    4-methylpyridine 1443.0
    dibutyl ether 113.2
    2,6-dimethyl-4-heptanol 117.83
    DEF 665.81
    dimethyl isosorbide 453.46
    tetrachloroethylene 683.28
    eugenol 264.88
    triacetin 213.06
    span 80 224.18
    1,4-butanediol 238.64
    1,1-dichloroethane 975.42
    2-methyl-1-pentanol 473.11
    methyl formate 530.06
    2-methyl-1-butanol 852.67
    n-decane 4.6
    butyronitrile 793.6
    3,7-dimethyl-1-octanol 149.62
    1-chlorooctane 46.26
    1-chlorotetradecane 14.58
    n-nonane 3.72
    undecane 3.38
    tert-butylcyclohexane 15.44
    cyclooctane 7.24
    cyclopentanol 881.9
    tetrahydropyran 2041.14
    tert-amyl methyl ether 367.45
    2,5,8-trioxanonane 429.44
    1-hexene 99.28
    2-isopropoxyethanol 432.5
    2,2,2-trifluoroethanol 121.57
    methyl butyrate 424.1

    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 1.0%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 9.92%