Phenanthrene, tetradecahydro-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    29966-04-9

    Molecular formula
    C14H24

    SMILES
    C1CCC2C(C1)CCC3C2CCCC3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 42.4%
    Dry 38.23%
    Woody 34.74%
    Musk 32.84%
    Amber 30.23%
    Waxy 30.01%
    Animal 25.42%
    Citrus 24.29%
    Fresh 22.29%
    Clean 22.04%

    Scent© AI

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    9.47 (weak base)

    Molecular weight
    192.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    275°C

    Flash point est.
    128.84 ˚C

  • Synonyms

    • Tetradecahydrophenanthrene
    • PERHYDROPHENANTHRENE
    • Phenanthrene, tetradecahydro-
    • 5743-97-5
    • Octahydrophenanthrene
    • 29966-04-9
    • 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
    • EINECS 227-267-8
    • NSC 91521
    • DTXSID10880678
    • 2108-89-6
    • Phenanthrene, octahydro-
    • Phenanthrene,tetradecahydro-
    • cis,syn,cis-Perhydrophenanthrene
    • DTXCID701022044
    • NSC91521
    • trans,anti,trans-Perhydrophenanthrene
    • tricyclo[8.4.0.02,7]tetradecane
    • NSC-91521
    • AKOS006275186
    • DS-012154
    • NS00048052
    • Perhydrophenanthrene, (4a.alpha., 4b.alpha., 8a.alpha., 10a.beta.)-
    • Perhydrophenanthrene, (4a.alpha., 4b.alpha., 8a.beta., 10a.beta)-
    • Perhydrophenanthrene, (4a.alpha., 4b.beta., 8a.alpha., 10a.alpha)-
    • Perhydrophenanthrene, (4a.alpha., 4b.beta., 8a.alpha., 10a.beta.)-
    • Perhydrophenanthrene, (4a.alpha., 4b.beta., 8a.beta., 10a.alpha.)-
    • 227-267-8

  • Applications

    Phenanthrene, tetradecahydro- (perhydrophenanthrene) is a saturated polycyclic hydrocarbon with low polarity and high thermal stability, used as a model compound in petroleum refining and catalysis studies (hydrogenation/dehydrogenation, cracking, isomerization) to probe the behavior of ring-saturated PAHs and catalyst selectivity; as a reference standard in GC or GC-MS method development to characterize high-boiling hydrocarbon fractions and hydroprocessed oils; as a benchmark component in combustion and fuel science to correlate structure with properties (volumetric energy density, sooting tendency, cetane metrics) and to evaluate high-density fuel and heat-transfer fluid formulations; as a low-interaction, high-boiling medium in lubrication and materials research to study solvency, viscosity and tribology or to serve as an inert diluent; and as a synthetic scaffold toward polycyclic frameworks (related to the perhydrocyclopenta[a]phenanthrene steroid nucleus) and a representative in environmental fate and toxicity studies of hydrogenated PAHs; overall it is used mainly for R&D and specialized evaluations rather than as a bulk commodity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.35
    methanol 37.05
    isopropanol 81.73
    water 0.04
    ethyl acetate 466.75
    n-propanol 116.76
    acetone 382.29
    n-butanol 139.0
    acetonitrile 170.33
    DMF 313.66
    toluene 785.31
    isobutanol 101.99
    1,4-dioxane 907.88
    methyl acetate 322.87
    THF 1614.73
    2-butanone 381.58
    n-pentanol 79.51
    sec-butanol 92.15
    n-hexane 163.72
    ethylene glycol 9.31
    NMP 481.46
    cyclohexane 550.49
    DMSO 238.2
    n-butyl acetate 696.7
    n-octanol 124.98
    chloroform 1256.51
    n-propyl acetate 320.74
    acetic acid 99.62
    dichloromethane 1211.8
    cyclohexanone 1041.46
    propylene glycol 17.74
    isopropyl acetate 401.22
    DMAc 266.1
    2-ethoxyethanol 97.65
    isopentanol 140.39
    n-heptane 317.99
    ethyl formate 236.67
    1,2-dichloroethane 858.56
    n-hexanol 211.35
    2-methoxyethanol 151.04
    isobutyl acetate 272.95
    tetrachloromethane 372.0
    n-pentyl acetate 351.06
    transcutol 516.78
    n-heptanol 124.96
    ethylbenzene 274.88
    MIBK 316.5
    2-propoxyethanol 257.28
    tert-butanol 133.47
    MTBE 274.88
    2-butoxyethanol 175.03
    propionic acid 131.95
    o-xylene 368.43
    formic acid 10.3
    diethyl ether 473.12
    m-xylene 420.77
    p-xylene 321.44
    chlorobenzene 708.7
    dimethyl carbonate 175.01
    n-octane 108.27
    formamide 23.69
    cyclopentanone 1138.28
    2-pentanone 420.7
    anisole 345.57
    cyclopentyl methyl ether 822.47
    gamma-butyrolactone 1038.57
    1-methoxy-2-propanol 161.98
    pyridine 926.45
    3-pentanone 400.29
    furfural 694.36
    n-dodecane 63.45
    diethylene glycol 99.54
    diisopropyl ether 229.14
    tert-amyl alcohol 109.67
    acetylacetone 538.29
    n-hexadecane 76.97
    acetophenone 304.23
    methyl propionate 327.55
    isopentyl acetate 602.19
    trichloroethylene 1305.96
    n-nonanol 126.15
    cyclohexanol 286.65
    benzyl alcohol 171.45
    2-ethylhexanol 239.99
    isooctanol 123.22
    dipropyl ether 690.65
    1,2-dichlorobenzene 610.45
    ethyl lactate 104.69
    propylene carbonate 682.29
    n-methylformamide 106.38
    2-pentanol 120.95
    n-pentane 166.48
    1-propoxy-2-propanol 291.05
    1-methoxy-2-propyl acetate 503.28
    2-(2-methoxypropoxy) propanol 177.33
    mesitylene 321.71
    ε-caprolactone 777.23
    p-cymene 283.15
    epichlorohydrin 935.78
    1,1,1-trichloroethane 923.96
    2-aminoethanol 25.0
    morpholine-4-carbaldehyde 488.83
    sulfolane 928.34
    2,2,4-trimethylpentane 66.55
    2-methyltetrahydrofuran 940.23
    n-hexyl acetate 381.75
    isooctane 71.31
    2-(2-butoxyethoxy)ethanol 227.98
    sec-butyl acetate 267.58
    tert-butyl acetate 432.22
    decalin 168.75
    glycerin 29.55
    diglyme 570.21
    acrylic acid 101.46
    isopropyl myristate 220.27
    n-butyric acid 296.46
    acetyl acetate 403.74
    di(2-ethylhexyl) phthalate 130.05
    ethyl propionate 322.25
    nitromethane 216.44
    1,2-diethoxyethane 519.28
    benzonitrile 381.18
    trioctyl phosphate 117.77
    1-bromopropane 598.66
    gamma-valerolactone 942.94
    n-decanol 100.57
    triethyl phosphate 238.82
    4-methyl-2-pentanol 99.81
    propionitrile 275.51
    vinylene carbonate 524.54
    1,1,2-trichlorotrifluoroethane 338.41
    DMS 286.81
    cumene 186.15
    2-octanol 99.69
    2-hexanone 285.03
    octyl acetate 215.22
    limonene 428.21
    1,2-dimethoxyethane 412.92
    ethyl orthosilicate 235.59
    tributyl phosphate 158.01
    diacetone alcohol 247.36
    N,N-dimethylaniline 221.99
    acrylonitrile 264.47
    aniline 391.02
    1,3-propanediol 60.25
    bromobenzene 947.13
    dibromomethane 920.18
    1,1,2,2-tetrachloroethane 975.92
    2-methyl-cyclohexyl acetate 357.49
    tetrabutyl urea 194.3
    diisobutyl methanol 213.02
    2-phenylethanol 242.82
    styrene 354.34
    dioctyl adipate 246.46
    dimethyl sulfate 225.86
    ethyl butyrate 549.32
    methyl lactate 104.86
    butyl lactate 180.98
    diethyl carbonate 354.23
    propanediol butyl ether 96.35
    triethyl orthoformate 389.51
    p-tert-butyltoluene 282.29
    methyl 4-tert-butylbenzoate 291.78
    morpholine 706.96
    tert-butylamine 126.39
    n-dodecanol 87.37
    dimethoxymethane 365.78
    ethylene carbonate 516.34
    cyrene 169.53
    2-ethoxyethyl acetate 357.6
    2-ethylhexyl acetate 544.18
    1,2,4-trichlorobenzene 589.35
    4-methylpyridine 773.37
    dibutyl ether 431.76
    2,6-dimethyl-4-heptanol 213.02
    DEF 428.31
    dimethyl isosorbide 472.57
    tetrachloroethylene 679.16
    eugenol 185.12
    triacetin 315.19
    span 80 179.34
    1,4-butanediol 21.37
    1,1-dichloroethane 658.83
    2-methyl-1-pentanol 87.92
    methyl formate 121.57
    2-methyl-1-butanol 121.34
    n-decane 111.37
    butyronitrile 309.95
    3,7-dimethyl-1-octanol 164.59
    1-chlorooctane 257.05
    1-chlorotetradecane 112.58
    n-nonane 117.03
    undecane 79.74
    tert-butylcyclohexane 121.92
    cyclooctane 260.21
    cyclopentanol 273.0
    tetrahydropyran 1131.44
    tert-amyl methyl ether 222.21
    2,5,8-trioxanonane 342.42
    1-hexene 265.35
    2-isopropoxyethanol 98.77
    2,2,2-trifluoroethanol 46.96
    methyl butyrate 398.37

    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
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 12.0%