2,5-Dimethyloctahydropentalene

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  • Identifiers

    CAS number
    28588-55-8

    Molecular formula
    C10H18

    SMILES
    CC1CC2CC(CC2C1)C

  • Odor profile

    Fragrance
    Woody 47.66%
    Citrus 44.68%
    Herbal 43.65%
    Green 39.72%
    Fresh 39.29%
    Spicy 38.53%
    Floral 28.29%
    Dry 27.85%
    Mint 27.77%
    Earthy 27.42%

     

    Flavor
    Sweet 36.0%
    Woody 28.36%
    Wood 25.27%
    Earthy 24.11%
    Dry 23.92%
    Fir needle 23.41%
    Spice 22.96%
    Beet 22.62%
    Old paper 22.28%
    Soil 22.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.79 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point

    • 43.51 ˚C est.

  • Synonyms

    • 28588-55-8
    • 2,5-Dimethyloctahydropentalene
    • Octahydro-2,5-dimethylpentalene
    • Pentalene, octahydro-2,5-dimethyl-
    • 2,5-Dimethyloctahydropentalene #
    • DTXSID90339598
    • SQRZZYQFRGXZID-UHFFFAOYSA-N
    • 3,7-dimethylbicyclo[3.3.0]octane

  • Applications

    2,5-Dimethyloctahydropentalene (CAS 28588-55-8) is a saturated, non-polar hydrocarbon that is primarily used as an intermediate or a structural building block in organic synthesis. In industrial manufacturing and polymer science, it can serve as a rigid hydrocarbon scaffold for the design of polycyclic compounds and functionalized derivatives. In materials science and electronics research, it may be evaluated as a core structure for developing advanced organic materials and polymers with enhanced thermal and mechanical stability. In coatings and specialty inks, it can be used as a non-reactive hydrocarbon component or a precursor for subsequent functionalization. It may also be considered as an intermediate in synthetic routes for pharmaceuticals or agrochemicals in early development stages. Use is typically governed by formulation requirements and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 506.61
    methanol 264.8
    isopropanol 586.56
    water 0.29
    ethyl acetate 1179.51
    n-propanol 598.26
    acetone 1051.37
    n-butanol 805.03
    acetonitrile 846.17
    DMF 560.11
    toluene 1062.58
    isobutanol 559.08
    1,4-dioxane 1795.83
    methyl acetate 810.71
    THF 3573.5
    2-butanone 926.96
    n-pentanol 409.83
    sec-butanol 569.01
    n-hexane 700.27
    ethylene glycol 50.31
    NMP 717.66
    cyclohexane 1327.64
    DMSO 418.27
    n-butyl acetate 2044.53
    n-octanol 541.44
    chloroform 2494.6
    n-propyl acetate 660.28
    acetic acid 354.66
    dichloromethane 1992.62
    cyclohexanone 1721.86
    propylene glycol 114.96
    isopropyl acetate 980.74
    DMAc 452.33
    2-ethoxyethanol 318.27
    isopentanol 757.31
    n-heptane 1494.05
    ethyl formate 597.67
    1,2-dichloroethane 1165.41
    n-hexanol 1463.34
    2-methoxyethanol 524.65
    isobutyl acetate 560.76
    tetrachloromethane 785.25
    n-pentyl acetate 717.83
    transcutol 1253.33
    n-heptanol 573.27
    ethylbenzene 460.63
    MIBK 799.99
    2-propoxyethanol 1142.62
    tert-butanol 846.13
    MTBE 1302.33
    2-butoxyethanol 577.92
    propionic acid 408.62
    o-xylene 560.95
    formic acid 46.61
    diethyl ether 1454.19
    m-xylene 722.85
    p-xylene 549.82
    chlorobenzene 977.83
    dimethyl carbonate 271.86
    n-octane 365.79
    formamide 86.26
    cyclopentanone 1806.63
    2-pentanone 1042.43
    anisole 594.7
    cyclopentyl methyl ether 1629.6
    gamma-butyrolactone 1625.21
    1-methoxy-2-propanol 578.21
    pyridine 1320.2
    3-pentanone 764.73
    furfural 952.14
    n-dodecane 217.06
    diethylene glycol 404.39
    diisopropyl ether 769.63
    tert-amyl alcohol 628.49
    acetylacetone 938.22
    n-hexadecane 257.48
    acetophenone 429.25
    methyl propionate 675.66
    isopentyl acetate 1759.66
    trichloroethylene 1650.73
    n-nonanol 503.72
    cyclohexanol 998.72
    benzyl alcohol 315.86
    2-ethylhexanol 1244.31
    isooctanol 463.29
    dipropyl ether 2321.96
    1,2-dichlorobenzene 787.97
    ethyl lactate 218.61
    propylene carbonate 1120.7
    n-methylformamide 280.98
    2-pentanol 666.4
    n-pentane 676.54
    1-propoxy-2-propanol 1249.74
    1-methoxy-2-propyl acetate 1212.15
    2-(2-methoxypropoxy) propanol 455.63
    mesitylene 556.5
    ε-caprolactone 1288.96
    p-cymene 662.03
    epichlorohydrin 1438.63
    1,1,1-trichloroethane 1581.23
    2-aminoethanol 143.42
    morpholine-4-carbaldehyde 761.56
    sulfolane 1166.36
    2,2,4-trimethylpentane 264.78
    2-methyltetrahydrofuran 2370.61
    n-hexyl acetate 962.12
    isooctane 289.65
    2-(2-butoxyethoxy)ethanol 659.34
    sec-butyl acetate 549.46
    tert-butyl acetate 1079.38
    decalin 396.31
    glycerin 133.56
    diglyme 1237.94
    acrylic acid 263.9
    isopropyl myristate 552.24
    n-butyric acid 924.29
    acetyl acetate 777.51
    di(2-ethylhexyl) phthalate 293.13
    ethyl propionate 624.91
    nitromethane 550.86
    1,2-diethoxyethane 1266.94
    benzonitrile 663.79
    trioctyl phosphate 278.68
    1-bromopropane 1306.89
    gamma-valerolactone 1474.34
    n-decanol 393.26
    triethyl phosphate 429.79
    4-methyl-2-pentanol 479.02
    propionitrile 928.37
    vinylene carbonate 792.09
    1,1,2-trichlorotrifluoroethane 591.46
    DMS 479.63
    cumene 332.6
    2-octanol 389.2
    2-hexanone 713.88
    octyl acetate 579.27
    limonene 1125.11
    1,2-dimethoxyethane 899.33
    ethyl orthosilicate 474.56
    tributyl phosphate 367.19
    diacetone alcohol 628.71
    N,N-dimethylaniline 364.87
    acrylonitrile 686.22
    aniline 732.67
    1,3-propanediol 302.67
    bromobenzene 1212.81
    dibromomethane 1686.45
    1,1,2,2-tetrachloroethane 1362.67
    2-methyl-cyclohexyl acetate 822.44
    tetrabutyl urea 405.73
    diisobutyl methanol 762.34
    2-phenylethanol 604.51
    styrene 515.08
    dioctyl adipate 495.52
    dimethyl sulfate 275.94
    ethyl butyrate 1369.57
    methyl lactate 223.6
    butyl lactate 404.7
    diethyl carbonate 742.73
    propanediol butyl ether 361.5
    triethyl orthoformate 942.78
    p-tert-butyltoluene 648.09
    methyl 4-tert-butylbenzoate 496.83
    morpholine 1669.89
    tert-butylamine 827.6
    n-dodecanol 325.24
    dimethoxymethane 770.78
    ethylene carbonate 873.26
    cyrene 310.16
    2-ethoxyethyl acetate 693.07
    2-ethylhexyl acetate 1495.61
    1,2,4-trichlorobenzene 777.24
    4-methylpyridine 1238.01
    dibutyl ether 1320.47
    2,6-dimethyl-4-heptanol 762.34
    DEF 729.67
    dimethyl isosorbide 924.91
    tetrachloroethylene 953.02
    eugenol 365.58
    triacetin 571.14
    span 80 501.43
    1,4-butanediol 106.87
    1,1-dichloroethane 1414.78
    2-methyl-1-pentanol 371.99
    methyl formate 264.16
    2-methyl-1-butanol 626.7
    n-decane 390.09
    butyronitrile 1225.39
    3,7-dimethyl-1-octanol 630.08
    1-chlorooctane 735.44
    1-chlorotetradecane 320.37
    n-nonane 421.23
    undecane 281.77
    tert-butylcyclohexane 341.26
    cyclooctane 626.73
    cyclopentanol 963.58
    tetrahydropyran 2576.11
    tert-amyl methyl ether 838.42
    2,5,8-trioxanonane 760.23
    1-hexene 988.75
    2-isopropoxyethanol 314.59
    2,2,2-trifluoroethanol 135.11
    methyl butyrate 742.53

    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
Acronychia pedunculata (China) Acronychia pedunculata (L.) Miq., fam. Rutaceae 3.3%