1,3,3-Trimethylcyclohexene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    503-47-9

    Molecular formula
    C9H16

    SMILES
    CC1=CC(CCC1)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 75.43%
    Sweet 51.34%
    Green 48.33%
    Spicy 46.78%
    Citrus 46.25%
    Dry 41.28%
    Camphoreous 39.83%
    Earthy 39.55%
    Terpenic 39.14%
    Herbal 38.87%

     

    Flavor
    Woody 48.27%
    Camphor 34.86%
    Sweet 34.25%
    Dry 33.15%
    Earthy 30.64%
    Pine 28.1%
    Wood 26.92%
    Fresh 22.97%
    Old paper 22.07%
    Spicy 22.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.73 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point

    • 28.58 ˚C est.

  • Synonyms

    • 1,3,3-Trimethylcyclohexene
    • 503-47-9
    • EINECS 207-970-6
    • DTXSID30198303
    • RefChem:72219
    • DTXCID20120794
    • 207-970-6
    • 1,3,3-TRIMETHYLCYCLOHEX-1-ENE
    • 2,6,6-trimethylcyclohexene
    • SCHEMBL891337
    • SCHEMBL1179634
    • SCHEMBL3420279
    • SCHEMBL4819264
    • SCHEMBL5153211
    • 2,6,6-trimethylcyclohex-1-en
    • SCHEMBL11650187
    • SCHEMBL11971993
    • SCHEMBL16568746
    • NS00032040
    • 503-47-9

  • Applications

    1,3,3-Trimethylcyclohexene (CAS 503-47-9) is typically used as a fragrance ingredient or synthesis intermediate in perfumery, and may serve as a fragrance component in cosmetics and personal care; it is also considered a chemical intermediate for polymers and plastics, and can be used as an intermediate or additive in coatings and inks; in addition, it may function as a solvent or processing aid in industrial cleaning formulations; as a non-aromatic hydrocarbon with fragrance-relevant character, it serves as a building block for other industrial manufacturing applications, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 630.19
    methanol 492.08
    isopropanol 480.36
    water 0.33
    ethyl acetate 826.73
    n-propanol 578.57
    acetone 530.78
    n-butanol 787.12
    acetonitrile 396.81
    DMF 325.65
    toluene 687.76
    isobutanol 457.15
    1,4-dioxane 1174.28
    methyl acetate 578.81
    THF 1822.25
    2-butanone 676.97
    n-pentanol 472.89
    sec-butanol 586.58
    n-hexane 965.77
    ethylene glycol 50.34
    NMP 485.67
    cyclohexane 954.25
    DMSO 253.19
    n-butyl acetate 1562.46
    n-octanol 641.33
    chloroform 1031.86
    n-propyl acetate 449.98
    acetic acid 268.58
    dichloromethane 769.58
    cyclohexanone 952.64
    propylene glycol 103.61
    isopropyl acetate 616.97
    DMAc 377.17
    2-ethoxyethanol 320.45
    isopentanol 716.01
    n-heptane 1367.44
    ethyl formate 284.39
    1,2-dichloroethane 543.13
    n-hexanol 1825.37
    2-methoxyethanol 528.7
    isobutyl acetate 367.49
    tetrachloromethane 323.16
    n-pentyl acetate 538.79
    transcutol 1439.48
    n-heptanol 634.44
    ethylbenzene 313.12
    MIBK 535.55
    2-propoxyethanol 1179.1
    tert-butanol 692.47
    MTBE 1242.0
    2-butoxyethanol 551.56
    propionic acid 271.61
    o-xylene 401.62
    formic acid 63.06
    diethyl ether 1550.52
    m-xylene 502.88
    p-xylene 341.38
    chlorobenzene 463.52
    dimethyl carbonate 148.14
    n-octane 352.58
    formamide 63.61
    cyclopentanone 780.64
    2-pentanone 739.55
    anisole 388.31
    cyclopentyl methyl ether 1281.05
    gamma-butyrolactone 611.31
    1-methoxy-2-propanol 500.4
    pyridine 591.26
    3-pentanone 621.13
    furfural 414.95
    n-dodecane 199.85
    diethylene glycol 367.91
    diisopropyl ether 775.63
    tert-amyl alcohol 748.27
    acetylacetone 480.66
    n-hexadecane 219.26
    acetophenone 257.31
    methyl propionate 501.97
    isopentyl acetate 1211.68
    trichloroethylene 689.03
    n-nonanol 575.89
    cyclohexanol 755.07
    benzyl alcohol 216.6
    2-ethylhexanol 1413.97
    isooctanol 490.24
    dipropyl ether 1757.02
    1,2-dichlorobenzene 358.83
    ethyl lactate 146.1
    propylene carbonate 424.19
    n-methylformamide 164.65
    2-pentanol 658.66
    n-pentane 805.93
    1-propoxy-2-propanol 1170.11
    1-methoxy-2-propyl acetate 828.91
    2-(2-methoxypropoxy) propanol 487.26
    mesitylene 365.8
    ε-caprolactone 792.32
    p-cymene 417.02
    epichlorohydrin 700.39
    1,1,1-trichloroethane 701.96
    2-aminoethanol 156.65
    morpholine-4-carbaldehyde 563.61
    sulfolane 508.66
    2,2,4-trimethylpentane 316.28
    2-methyltetrahydrofuran 1633.08
    n-hexyl acetate 877.2
    isooctane 300.68
    2-(2-butoxyethoxy)ethanol 672.51
    sec-butyl acetate 385.38
    tert-butyl acetate 716.41
    decalin 365.87
    glycerin 122.86
    diglyme 898.64
    acrylic acid 153.43
    isopropyl myristate 408.46
    n-butyric acid 546.37
    acetyl acetate 401.68
    di(2-ethylhexyl) phthalate 251.96
    ethyl propionate 412.39
    nitromethane 276.88
    1,2-diethoxyethane 1082.56
    benzonitrile 316.55
    trioctyl phosphate 233.21
    1-bromopropane 904.25
    gamma-valerolactone 763.37
    n-decanol 450.39
    triethyl phosphate 258.04
    4-methyl-2-pentanol 457.13
    propionitrile 489.88
    vinylene carbonate 303.19
    1,1,2-trichlorotrifluoroethane 326.39
    DMS 343.55
    cumene 243.14
    2-octanol 435.27
    2-hexanone 563.35
    octyl acetate 496.43
    limonene 841.46
    1,2-dimethoxyethane 680.16
    ethyl orthosilicate 316.31
    tributyl phosphate 284.62
    diacetone alcohol 495.0
    N,N-dimethylaniline 277.82
    acrylonitrile 314.76
    aniline 442.45
    1,3-propanediol 260.38
    bromobenzene 542.41
    dibromomethane 763.55
    1,1,2,2-tetrachloroethane 601.95
    2-methyl-cyclohexyl acetate 568.61
    tetrabutyl urea 315.37
    diisobutyl methanol 598.37
    2-phenylethanol 519.68
    styrene 333.84
    dioctyl adipate 362.44
    dimethyl sulfate 138.07
    ethyl butyrate 780.61
    methyl lactate 148.81
    butyl lactate 314.22
    diethyl carbonate 395.83
    propanediol butyl ether 370.91
    triethyl orthoformate 585.8
    p-tert-butyltoluene 432.89
    methyl 4-tert-butylbenzoate 386.52
    morpholine 1146.88
    tert-butylamine 727.74
    n-dodecanol 365.2
    dimethoxymethane 513.52
    ethylene carbonate 323.12
    cyrene 251.73
    2-ethoxyethyl acetate 543.77
    2-ethylhexyl acetate 1149.73
    1,2,4-trichlorobenzene 373.68
    4-methylpyridine 691.41
    dibutyl ether 1159.74
    2,6-dimethyl-4-heptanol 598.37
    DEF 638.55
    dimethyl isosorbide 676.9
    tetrachloroethylene 421.86
    eugenol 289.98
    triacetin 411.24
    span 80 517.39
    1,4-butanediol 89.04
    1,1-dichloroethane 638.96
    2-methyl-1-pentanol 481.52
    methyl formate 127.16
    2-methyl-1-butanol 666.4
    n-decane 365.31
    butyronitrile 699.54
    3,7-dimethyl-1-octanol 716.87
    1-chlorooctane 647.41
    1-chlorotetradecane 274.15
    n-nonane 413.43
    undecane 254.93
    tert-butylcyclohexane 377.62
    cyclooctane 538.33
    cyclopentanol 524.18
    tetrahydropyran 1747.23
    tert-amyl methyl ether 1059.3
    2,5,8-trioxanonane 630.2
    1-hexene 1066.0
    2-isopropoxyethanol 315.8
    2,2,2-trifluoroethanol 66.47
    methyl butyrate 460.75

    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