1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, phosphate (1:?)

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  • Identifiers

    CAS number
    67801-60-9

    Molecular formula
    C20H34NO4P

    SMILES
    CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.OP(=O)(O)O

  • Odor profile

    Fragrance
    Woody 54.82%
    Animal 37.61%
    Spicy 35.29%
    Dry 31.31%
    Amber 31.21%
    Leathery 28.66%
    Earthy 28.63%
    Herbal 28.05%
    Green 27.6%
    Vetiver 27.22%

     

    Flavor
    Woody 53.11%
    Wood 39.3%
    Spice 34.09%
    Herb 26.07%
    Camphor 23.38%
    Fir needle 23.31%
    Pine 23.1%
    Sandalwood 22.0%
    Terpene 21.7%
    Old paper 21.3%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.93 (neutral)

    Molecular weight
    383.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 210.73 ˚C est.

  • Synonyms

    • Dehydroabietyl amine phosphate
    • EINECS 267-180-2
    • 67801-60-9
    • 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, phosphate
    • 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, phosphate (1:?)
    • DTXSID00987140
    • Phosphoric acid--abieta-8,11,13-trien-18-amine (1/1)
    • (1R-(1alpha,4abeta,10aalpha))-1,2,3,4,4a,9,10,10a-Octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanamine phosphate

  • Applications

    Chemical name: 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, phosphate (1:?) CAS 67801-60-9 may function as an intermediary or building block in the synthesis of specialty chemicals, including pharmaceuticals and agrochemicals; in polymers and coatings, it can serve as a reactive intermediate or crosslinking/curing agent; in electronics and advanced materials, it may act as a precursor to organophosphorus compounds or as a ligand in catalytic systems; in research settings, its chiral centers enable use as a chiral auxiliary or ligand for asymmetric synthesis; and in industrial manufacturing, it could be evaluated as a specialty additive or stabilizer where phosphorus-containing moieties are desired, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 429.54
    methanol 340.22
    isopropanol 293.53
    water 0.72
    ethyl acetate 724.67
    n-propanol 474.57
    acetone 827.28
    n-butanol 483.04
    acetonitrile 341.27
    DMF 1223.22
    toluene 396.22
    isobutanol 287.53
    1,4-dioxane 1152.77
    methyl acetate 435.26
    THF 1608.6
    2-butanone 540.64
    n-pentanol 130.24
    sec-butanol 120.97
    n-hexane 14.75
    ethylene glycol 29.28
    NMP 308.44
    cyclohexane 55.91
    DMSO 340.53
    n-butyl acetate 626.77
    n-octanol 62.95
    chloroform 973.03
    n-propyl acetate 251.01
    acetic acid 198.39
    dichloromethane 900.31
    cyclohexanone 722.4
    propylene glycol 32.66
    isopropyl acetate 504.02
    DMAc 497.99
    2-ethoxyethanol 280.24
    isopentanol 324.09
    n-heptane 17.86
    ethyl formate 346.03
    1,2-dichloroethane 750.68
    n-hexanol 293.55
    2-methoxyethanol 718.3
    isobutyl acetate 212.0
    tetrachloromethane 192.79
    n-pentyl acetate 239.29
    transcutol 810.09
    n-heptanol 124.96
    ethylbenzene 84.07
    MIBK 361.4
    2-propoxyethanol 752.42
    tert-butanol 312.7
    MTBE 555.8
    2-butoxyethanol 293.77
    propionic acid 156.07
    o-xylene 149.46
    formic acid 61.16
    diethyl ether 836.97
    m-xylene 229.95
    p-xylene 114.8
    chlorobenzene 417.71
    dimethyl carbonate 261.28
    n-octane 8.37
    formamide 128.77
    cyclopentanone 835.65
    2-pentanone 636.46
    anisole 194.03
    cyclopentyl methyl ether 603.66
    gamma-butyrolactone 737.31
    1-methoxy-2-propanol 480.86
    pyridine 690.58
    3-pentanone 426.66
    furfural 528.5
    n-dodecane 4.86
    diethylene glycol 294.07
    diisopropyl ether 177.67
    tert-amyl alcohol 124.19
    acetylacetone 647.07
    n-hexadecane 5.97
    acetophenone 154.89
    methyl propionate 498.08
    isopentyl acetate 559.96
    trichloroethylene 1047.74
    n-nonanol 66.06
    cyclohexanol 198.27
    benzyl alcohol 130.75
    2-ethylhexanol 139.59
    isooctanol 96.03
    dipropyl ether 315.0
    1,2-dichlorobenzene 303.28
    ethyl lactate 84.11
    propylene carbonate 361.83
    n-methylformamide 500.61
    2-pentanol 159.01
    n-pentane 26.24
    1-propoxy-2-propanol 414.22
    1-methoxy-2-propyl acetate 606.63
    2-(2-methoxypropoxy) propanol 143.0
    mesitylene 129.14
    ε-caprolactone 500.05
    p-cymene 81.68
    epichlorohydrin 916.31
    1,1,1-trichloroethane 580.23
    2-aminoethanol 102.28
    morpholine-4-carbaldehyde 591.65
    sulfolane 406.85
    2,2,4-trimethylpentane 14.68
    2-methyltetrahydrofuran 638.78
    n-hexyl acetate 209.01
    isooctane 15.54
    2-(2-butoxyethoxy)ethanol 264.14
    sec-butyl acetate 175.12
    tert-butyl acetate 468.87
    decalin 18.32
    glycerin 62.26
    diglyme 675.66
    acrylic acid 117.11
    isopropyl myristate 74.44
    n-butyric acid 458.43
    acetyl acetate 375.03
    di(2-ethylhexyl) phthalate 74.16
    ethyl propionate 228.94
    nitromethane 531.51
    1,2-diethoxyethane 517.4
    benzonitrile 223.46
    trioctyl phosphate 62.07
    1-bromopropane 398.83
    gamma-valerolactone 1145.64
    n-decanol 45.96
    triethyl phosphate 103.01
    4-methyl-2-pentanol 118.52
    propionitrile 440.14
    vinylene carbonate 385.47
    1,1,2-trichlorotrifluoroethane 339.8
    DMS 212.94
    cumene 57.94
    2-octanol 56.44
    2-hexanone 197.96
    octyl acetate 93.42
    limonene 111.57
    1,2-dimethoxyethane 738.27
    ethyl orthosilicate 119.8
    tributyl phosphate 72.58
    diacetone alcohol 289.38
    N,N-dimethylaniline 115.81
    acrylonitrile 392.88
    aniline 338.84
    1,3-propanediol 295.91
    bromobenzene 440.17
    dibromomethane 571.38
    1,1,2,2-tetrachloroethane 691.63
    2-methyl-cyclohexyl acetate 172.29
    tetrabutyl urea 87.97
    diisobutyl methanol 86.2
    2-phenylethanol 223.69
    styrene 115.26
    dioctyl adipate 91.49
    dimethyl sulfate 247.49
    ethyl butyrate 311.45
    methyl lactate 130.37
    butyl lactate 144.44
    diethyl carbonate 163.88
    propanediol butyl ether 120.9
    triethyl orthoformate 230.36
    p-tert-butyltoluene 88.55
    methyl 4-tert-butylbenzoate 172.58
    morpholine 1143.86
    tert-butylamine 205.28
    n-dodecanol 33.4
    dimethoxymethane 1382.95
    ethylene carbonate 393.44
    cyrene 128.21
    2-ethoxyethyl acetate 398.42
    2-ethylhexyl acetate 376.23
    1,2,4-trichlorobenzene 300.82
    4-methylpyridine 669.64
    dibutyl ether 119.42
    2,6-dimethyl-4-heptanol 86.2
    DEF 580.85
    dimethyl isosorbide 305.33
    tetrachloroethylene 511.95
    eugenol 147.96
    triacetin 169.24
    span 80 111.31
    1,4-butanediol 52.52
    1,1-dichloroethane 617.98
    2-methyl-1-pentanol 115.75
    methyl formate 359.61
    2-methyl-1-butanol 225.25
    n-decane 10.09
    butyronitrile 482.8
    3,7-dimethyl-1-octanol 69.59
    1-chlorooctane 55.14
    1-chlorotetradecane 18.93
    n-nonane 8.53
    undecane 6.73
    tert-butylcyclohexane 16.06
    cyclooctane 18.34
    cyclopentanol 170.65
    tetrahydropyran 1115.8
    tert-amyl methyl ether 223.74
    2,5,8-trioxanonane 295.27
    1-hexene 63.18
    2-isopropoxyethanol 181.34
    2,2,2-trifluoroethanol 92.59
    methyl butyrate 278.04

    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