1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-(2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl) ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-

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  • Identifiers

    CAS number
    127-23-1

    Molecular formula
    C85H124O8

    SMILES
    CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@@]4(CCC[C@]5([C@H]4CC=C6[C@@H]5CCC(=C6)C(C)C)C)C)(COC(=O)[C@@]7(CCC[C@]8([C@H]7CC=C9[C@@H]8CCC(=C9)C(C)C)C)C)COC(=O)[C@@]1(CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.59%
    Amber 46.78%
    Balsamic 45.61%
    Cedar 41.46%
    Dry 39.06%
    Sandalwood 38.8%
    Herbal 38.78%
    Vetiver 36.26%
    Spicy 31.38%
    Pine 30.2%

     

    Flavor
    Bitter 42.73%
    Woody 31.21%
    Herbal 25.18%
    Balsam 22.74%
    Pine 22.37%
    Wood 22.21%
    Cedarleaf 21.91%
    Sandalwood 21.59%
    Ripe apricot 20.85%
    Heather 20.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    19.9

    pKa est.
    3.2 (weak acid)

    Molecular weight
    1273.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    898°C

    Flash point

    • 413.45 ˚C est.

  • Synonyms

    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-(2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl) ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis[[[[(1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]carbonyl]oxy]methyl]-1,3-propanediyl ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-[2,2-bis[[[[(1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]carbonyl]oxy]methyl]-1,3-propanediyl] ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
    • RefChem:435433
    • Pentaerythritol tetraabietate
    • Pentaerythrityl tetraabietate
    • 127-23-1
    • VF71DNS70H
    • [3-[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy-2,2-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxymethyl]propyl] (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-,
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis((((1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, stereoisomer
    • Pentalyn H
    • UNII-VF71DNS70H
    • SCHEMBL30254089
    • BQSWWPVLPPRSPJ-FIKIKMCASA-N
    • DTXSID501021771
    • EINECS 204-830-6
    • PENTAERYTHRITOL, TETRAABIETATE
    • NS00013964
    • Q27291801
    • PODOCARPA-8,12-DIEN-15-OIC ACID, 13-ISOPROPYL-, NEOPENTANETETRAYL ESTER
    • 127-23-1

  • Applications

    This description concerns the chemical 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-(2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl) ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-, and CAS number: 127-23-1. In industry, its primary role is as a synthetic intermediate for constructing complex ester derivatives, enabling access to diverse architectures. It is commonly used as a building block in pharmaceutical and agrochemical research, and may serve as a specialized reagent in R&D workflows focusing on novel ester linkages. As a bulky, lipophilic component, it can act as a polymer or coating additive to tailor processing and performance properties in niche formulations, while niche cosmetic or fragrance applications may be explored in highly formulated products where high-molecular-weight esters function as fixatives or scent carriers, subject to formulation constraints. In analytical and method-development contexts, the compound is used as a reference material or starting point for impurity profiling and synthetic route validation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.69
    methanol 2.71
    isopropanol 2.09
    water 0.01
    ethyl acetate 7.0
    n-propanol 4.74
    acetone 7.34
    n-butanol 3.5
    acetonitrile 2.71
    DMF 24.87
    toluene 7.24
    isobutanol 2.84
    1,4-dioxane 13.24
    methyl acetate 8.22
    THF 28.11
    2-butanone 11.93
    n-pentanol 4.41
    sec-butanol 2.89
    n-hexane 0.37
    ethylene glycol 0.45
    NMP 51.18
    cyclohexane 0.29
    DMSO 9.42
    n-butyl acetate 4.95
    n-octanol 1.28
    chloroform 41.97
    n-propyl acetate 6.34
    acetic acid 7.97
    dichloromethane 26.96
    cyclohexanone 16.65
    propylene glycol 1.31
    isopropyl acetate 5.48
    DMAc 40.99
    2-ethoxyethanol 11.09
    isopentanol 2.54
    n-heptane 0.26
    ethyl formate 5.0
    1,2-dichloroethane 10.33
    n-hexanol 2.82
    2-methoxyethanol 9.39
    isobutyl acetate 4.23
    tetrachloromethane 4.55
    n-pentyl acetate 6.07
    transcutol 12.12
    n-heptanol 2.53
    ethylbenzene 3.56
    MIBK 5.19
    2-propoxyethanol 14.35
    tert-butanol 2.04
    MTBE 3.77
    2-butoxyethanol 9.52
    propionic acid 7.46
    o-xylene 4.19
    formic acid 2.75
    diethyl ether 4.76
    m-xylene 4.73
    p-xylene 4.16
    chlorobenzene 9.44
    dimethyl carbonate 7.4
    n-octane 0.1
    formamide 4.22
    cyclopentanone 25.62
    2-pentanone 8.48
    anisole 8.67
    cyclopentyl methyl ether 9.83
    gamma-butyrolactone 28.67
    1-methoxy-2-propanol 10.47
    pyridine 20.14
    3-pentanone 8.19
    furfural 26.04
    n-dodecane 0.05
    diethylene glycol 5.0
    diisopropyl ether 1.27
    tert-amyl alcohol 2.79
    acetylacetone 11.07
    n-hexadecane 0.06
    acetophenone 9.89
    methyl propionate 10.28
    isopentyl acetate 4.88
    trichloroethylene 37.4
    n-nonanol 1.6
    cyclohexanol 2.99
    benzyl alcohol 8.09
    2-ethylhexanol 1.82
    isooctanol 1.92
    dipropyl ether 3.92
    1,2-dichlorobenzene 9.77
    ethyl lactate 5.04
    propylene carbonate 12.07
    n-methylformamide 10.06
    2-pentanol 2.08
    n-pentane 0.27
    1-propoxy-2-propanol 10.02
    1-methoxy-2-propyl acetate 10.27
    2-(2-methoxypropoxy) propanol 6.85
    mesitylene 2.23
    ε-caprolactone 17.83
    p-cymene 1.67
    epichlorohydrin 30.71
    1,1,1-trichloroethane 12.01
    2-aminoethanol 2.04
    morpholine-4-carbaldehyde 34.74
    sulfolane 34.24
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 12.41
    n-hexyl acetate 4.95
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 7.41
    sec-butyl acetate 4.42
    tert-butyl acetate 6.29
    decalin 0.3
    glycerin 2.22
    diglyme 16.06
    acrylic acid 7.94
    isopropyl myristate 1.4
    n-butyric acid 9.12
    acetyl acetate 6.01
    di(2-ethylhexyl) phthalate 2.9
    ethyl propionate 6.09
    nitromethane 14.84
    1,2-diethoxyethane 4.74
    benzonitrile 5.84
    trioctyl phosphate 1.65
    1-bromopropane 5.79
    gamma-valerolactone 44.89
    n-decanol 0.87
    triethyl phosphate 3.57
    4-methyl-2-pentanol 1.38
    propionitrile 4.23
    vinylene carbonate 14.64
    1,1,2-trichlorotrifluoroethane 27.88
    DMS 6.39
    cumene 2.14
    2-octanol 1.25
    2-hexanone 7.95
    octyl acetate 2.12
    limonene 1.76
    1,2-dimethoxyethane 16.17
    ethyl orthosilicate 3.62
    tributyl phosphate 1.76
    diacetone alcohol 7.76
    N,N-dimethylaniline 6.65
    acrylonitrile 6.24
    aniline 7.97
    1,3-propanediol 3.3
    bromobenzene 10.27
    dibromomethane 14.65
    1,1,2,2-tetrachloroethane 26.77
    2-methyl-cyclohexyl acetate 5.54
    tetrabutyl urea 2.8
    diisobutyl methanol 1.04
    2-phenylethanol 6.75
    styrene 3.94
    dioctyl adipate 3.24
    dimethyl sulfate 13.78
    ethyl butyrate 5.13
    methyl lactate 7.38
    butyl lactate 6.22
    diethyl carbonate 3.41
    propanediol butyl ether 4.98
    triethyl orthoformate 5.29
    p-tert-butyltoluene 1.75
    methyl 4-tert-butylbenzoate 9.26
    morpholine 19.49
    tert-butylamine 1.02
    n-dodecanol 0.5
    dimethoxymethane 15.87
    ethylene carbonate 10.24
    cyrene 15.39
    2-ethoxyethyl acetate 10.98
    2-ethylhexyl acetate 4.12
    1,2,4-trichlorobenzene 14.73
    4-methylpyridine 16.31
    dibutyl ether 1.38
    2,6-dimethyl-4-heptanol 1.04
    DEF 12.79
    dimethyl isosorbide 13.86
    tetrachloroethylene 16.38
    eugenol 8.21
    triacetin 8.14
    span 80 5.89
    1,4-butanediol 2.09
    1,1-dichloroethane 10.14
    2-methyl-1-pentanol 3.5
    methyl formate 7.38
    2-methyl-1-butanol 3.12
    n-decane 0.13
    butyronitrile 3.48
    3,7-dimethyl-1-octanol 1.06
    1-chlorooctane 0.8
    1-chlorotetradecane 0.22
    n-nonane 0.11
    undecane 0.08
    tert-butylcyclohexane 0.31
    cyclooctane 0.16
    cyclopentanol 4.75
    tetrahydropyran 10.04
    tert-amyl methyl ether 3.77
    2,5,8-trioxanonane 8.54
    1-hexene 1.6
    2-isopropoxyethanol 8.16
    2,2,2-trifluoroethanol 4.67
    methyl butyrate 7.85

    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