2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene

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  • Identifiers

    CAS number
    3910-35-8

    Molecular formula
    C18H20

    SMILES
    CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 52.38%
    Floral 49.89%
    Fruity 34.78%
    Sweet 34.56%
    Dry 34.01%
    Musk 33.06%
    Rose 33.04%
    Spicy 32.97%
    Green 32.24%
    Amber 31.46%

     

    Flavor
    Camphor 33.67%
    Woody 30.67%
    Dry 23.56%
    Wood 21.8%
    Tar 21.65%
    Fir needle 21.19%
    Tarry 20.91%
    Styrene 20.26%
    Guaiacol 20.13%
    Plastic 19.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.79 (neutral)

    Molecular weight
    236.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 156.13 ˚C est.

  • Synonyms

    • 3910-35-8
    • 1,1,3-trimethyl-3-phenyl-2,3-dihydro-1H-indene
    • 1-Phenyl-1,3,3-trimethylindan
    • 1,1,3-Trimethyl-3-phenylindan
    • 1,3,3-Trimethyl-1-phenylindan
    • 1,1,3-trimethyl-3-phenyl-2H-indene
    • 1,1,3-Trimethyl-3-phenylindane
    • 1,3,3-Trimethyl-1-phenylindane
    • Indan, 1,1,3-trimethyl-3-phenyl-
    • 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-
    • 1-PHENYL-1,3,3-TRIMETHYLINDANE
    • 2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
    • NSC 11311
    • NSC 55135
    • T7TE1607F0
    • EINECS 223-467-4
    • NSC-11311
    • NSC-55135
    • 1,1,-Trimethyl-3-phenylindane
    • 1,3-Trimethyl-1-phenylindan
    • 1,3-Trimethyl-3-phenylindan
    • 1-Phenyl-1,3-trimethylindan
    • 1,3-Trimethyl-3-phenylindane
    • 1-Phenyl-1,3-trimethylindane
    • Indan,1,3-trimethyl-3-phenyl-
    • 2,1,3-trimethyl-3-phenyl-1H-indene
    • 1H-Indene,3-dihydro-1,1,3-trimethyl-3-phenyl-
    • UNII-T7TE1607F0
    • MFCD00021240
    • TRIMETHYL-3-PHENYLINDAN
    • DTXSID20863290
    • DAA91035
    • NSC11311
    • NSC55135
    • AKOS004907823
    • DS-5463
    • Indan, 1,1,3-trimethyl-3-phenyl-(8CI)
    • CS-0153798
    • NS00002022
    • D71010
    • 2,3-dihydro-3-phenyl-1,1,3-trimethyl-1H-indene
    • Q27289781
    • 223-467-4

  • Applications

    2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene is primarily used as a synthetic intermediate and building block in organic and medicinal chemistry. It serves to access more complex indane and polycyclic frameworks, supporting lead-structure exploration in drug discovery. The compound is also evaluated as an intermediate for the preparation of agrochemical candidates and for the synthesis of specialized aromatic compounds in materials research. Owing to its bulky, hydrophobic character and rigid aromatic core, the compound is typically handled in small-scale organic synthesis under standard laboratory conditions, with use governed by applicable regulations and formulation limits. CAS 3910-35-8.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.26
    methanol 80.47
    isopropanol 77.29
    water 0.08
    ethyl acetate 416.26
    n-propanol 140.86
    acetone 474.61
    n-butanol 144.47
    acetonitrile 202.81
    DMF 711.46
    toluene 667.08
    isobutanol 117.5
    1,4-dioxane 1094.95
    methyl acetate 351.5
    THF 2070.23
    2-butanone 456.19
    n-pentanol 102.21
    sec-butanol 83.79
    n-hexane 125.61
    ethylene glycol 11.91
    NMP 658.53
    cyclohexane 221.9
    DMSO 177.21
    n-butyl acetate 448.16
    n-octanol 113.29
    chloroform 894.07
    n-propyl acetate 253.36
    acetic acid 60.03
    dichloromethane 907.33
    cyclohexanone 935.79
    propylene glycol 20.52
    isopropyl acetate 316.2
    DMAc 509.84
    2-ethoxyethanol 124.32
    isopentanol 137.5
    n-heptane 118.82
    ethyl formate 188.32
    1,2-dichloroethane 761.12
    n-hexanol 257.47
    2-methoxyethanol 190.12
    isobutyl acetate 269.11
    tetrachloromethane 154.99
    n-pentyl acetate 256.56
    transcutol 396.23
    n-heptanol 122.1
    ethylbenzene 269.66
    MIBK 316.77
    2-propoxyethanol 329.83
    tert-butanol 119.84
    MTBE 350.4
    2-butoxyethanol 178.28
    propionic acid 87.45
    o-xylene 278.67
    formic acid 10.7
    diethyl ether 614.19
    m-xylene 360.9
    p-xylene 314.6
    chlorobenzene 506.2
    dimethyl carbonate 270.43
    n-octane 48.95
    formamide 30.03
    cyclopentanone 1239.88
    2-pentanone 462.64
    anisole 436.38
    cyclopentyl methyl ether 864.13
    gamma-butyrolactone 964.83
    1-methoxy-2-propanol 174.39
    pyridine 757.9
    3-pentanone 462.01
    furfural 501.58
    n-dodecane 30.62
    diethylene glycol 119.02
    diisopropyl ether 215.84
    tert-amyl alcohol 105.04
    acetylacetone 482.66
    n-hexadecane 37.41
    acetophenone 306.55
    methyl propionate 417.39
    isopentyl acetate 427.55
    trichloroethylene 1061.26
    n-nonanol 113.42
    cyclohexanol 208.63
    benzyl alcohol 177.12
    2-ethylhexanol 200.55
    isooctanol 111.27
    dipropyl ether 466.8
    1,2-dichlorobenzene 378.05
    ethyl lactate 84.39
    propylene carbonate 455.58
    n-methylformamide 167.45
    2-pentanol 105.29
    n-pentane 102.76
    1-propoxy-2-propanol 225.41
    1-methoxy-2-propyl acetate 393.66
    2-(2-methoxypropoxy) propanol 161.94
    mesitylene 222.84
    ε-caprolactone 629.55
    p-cymene 169.45
    epichlorohydrin 1010.03
    1,1,1-trichloroethane 527.6
    2-aminoethanol 32.55
    morpholine-4-carbaldehyde 678.31
    sulfolane 692.93
    2,2,4-trimethylpentane 43.61
    2-methyltetrahydrofuran 987.07
    n-hexyl acetate 350.94
    isooctane 41.94
    2-(2-butoxyethoxy)ethanol 211.36
    sec-butyl acetate 220.53
    tert-butyl acetate 341.69
    decalin 98.4
    glycerin 30.08
    diglyme 495.47
    acrylic acid 72.29
    isopropyl myristate 164.6
    n-butyric acid 169.96
    acetyl acetate 252.66
    di(2-ethylhexyl) phthalate 119.59
    ethyl propionate 273.24
    nitromethane 200.91
    1,2-diethoxyethane 382.01
    benzonitrile 273.06
    trioctyl phosphate 92.28
    1-bromopropane 520.08
    gamma-valerolactone 989.48
    n-decanol 90.28
    triethyl phosphate 144.98
    4-methyl-2-pentanol 96.42
    propionitrile 264.6
    vinylene carbonate 396.14
    1,1,2-trichlorotrifluoroethane 273.05
    DMS 330.75
    cumene 174.79
    2-octanol 85.5
    2-hexanone 303.59
    octyl acetate 183.93
    limonene 242.18
    1,2-dimethoxyethane 452.54
    ethyl orthosilicate 142.7
    tributyl phosphate 111.96
    diacetone alcohol 213.07
    N,N-dimethylaniline 284.9
    acrylonitrile 253.09
    aniline 313.94
    1,3-propanediol 61.0
    bromobenzene 629.71
    dibromomethane 611.11
    1,1,2,2-tetrachloroethane 766.34
    2-methyl-cyclohexyl acetate 265.96
    tetrabutyl urea 157.4
    diisobutyl methanol 122.02
    2-phenylethanol 245.38
    styrene 324.33
    dioctyl adipate 187.42
    dimethyl sulfate 291.99
    ethyl butyrate 316.9
    methyl lactate 103.44
    butyl lactate 125.3
    diethyl carbonate 189.55
    propanediol butyl ether 94.74
    triethyl orthoformate 221.66
    p-tert-butyltoluene 165.45
    methyl 4-tert-butylbenzoate 248.64
    morpholine 887.97
    tert-butylamine 108.14
    n-dodecanol 73.9
    dimethoxymethane 735.74
    ethylene carbonate 380.85
    cyrene 197.78
    2-ethoxyethyl acetate 312.59
    2-ethylhexyl acetate 381.32
    1,2,4-trichlorobenzene 412.84
    4-methylpyridine 736.37
    dibutyl ether 276.16
    2,6-dimethyl-4-heptanol 122.02
    DEF 509.24
    dimethyl isosorbide 382.76
    tetrachloroethylene 464.85
    eugenol 192.3
    triacetin 234.98
    span 80 143.46
    1,4-butanediol 28.48
    1,1-dichloroethane 554.48
    2-methyl-1-pentanol 109.65
    methyl formate 171.64
    2-methyl-1-butanol 126.14
    n-decane 57.8
    butyronitrile 275.74
    3,7-dimethyl-1-octanol 123.71
    1-chlorooctane 185.43
    1-chlorotetradecane 76.4
    n-nonane 58.48
    undecane 40.63
    tert-butylcyclohexane 78.8
    cyclooctane 104.86
    cyclopentanol 216.04
    tetrahydropyran 1180.92
    tert-amyl methyl ether 277.83
    2,5,8-trioxanonane 291.77
    1-hexene 297.84
    2-isopropoxyethanol 121.02
    2,2,2-trifluoroethanol 34.45
    methyl butyrate 310.13

    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