alpha-Ionene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    475-03-6

    Molecular formula
    C13H18

    SMILES
    CC1=CC2=C(C=C1)C(CCC2)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 72.29%
    Fruity 53.16%
    Musk 41.43%
    Dry 40.36%
    Sweet 39.54%
    Amber 39.1%
    Spicy 37.24%
    Tobacco 33.47%
    Earthy 31.72%
    Animal 30.85%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point est.
    95.46 ˚C

  • Synonyms

    • 1,1,6-Trimethyltetralin
    • 475-03-6
    • Ionene
    • alpha-Ionene
    • .alpha.-Ionene
    • 1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene
    • Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-
    • 1,1,6-Trimethyltetraline
    • 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
    • 1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene
    • UNII-B2ZN1K7W3Q
    • B2ZN1K7W3Q
    • EINECS 207-490-7
    • .ALPHA.-IONENE [FHFI]
    • DTXSID0052120
    • FEMA NO. 4264
    • CHEBI:87604
    • Naphthalene, 1,2,3,4-tetrahydro-1,6,6-trimethyl-
    • 1,1,6-trimethyl-1,2,3,4-tetrahydro-naphthalene
    • 1,2,3,4-Tetrahydro-1,1,6-trimethyl-naphthalene
    • a-Ionene
    • NAPHTHALENE,1,2,3,4-TETRAHYDRO-1,1,6-TRIMETHYL-
    • DTXCID8030689
    • AAA47503
    • MFCD00049170
    • AKOS006280707
    • CS-0265194
    • NS00022213
    • EN300-96891
    • H20117
    • Q27159767
    • ?-Ionene; 1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 253.85
    methanol 155.09
    isopropanol 180.41
    water 0.04
    ethyl acetate 606.01
    n-propanol 250.78
    acetone 534.99
    n-butanol 286.62
    acetonitrile 384.6
    DMF 432.43
    toluene 718.35
    isobutanol 169.74
    1,4-dioxane 1392.77
    methyl acetate 440.46
    THF 2116.28
    2-butanone 548.18
    n-pentanol 169.01
    sec-butanol 158.17
    n-hexane 315.15
    ethylene glycol 10.48
    NMP 398.18
    cyclohexane 506.01
    DMSO 189.16
    n-butyl acetate 1369.65
    n-octanol 233.8
    chloroform 1003.7
    n-propyl acetate 392.92
    acetic acid 93.48
    dichloromethane 1161.14
    cyclohexanone 943.22
    propylene glycol 21.29
    isopropyl acetate 404.59
    DMAc 305.69
    2-ethoxyethanol 150.16
    isopentanol 225.23
    n-heptane 561.72
    ethyl formate 312.73
    1,2-dichloroethane 796.13
    n-hexanol 729.32
    2-methoxyethanol 235.03
    isobutyl acetate 322.4
    tetrachloromethane 234.2
    n-pentyl acetate 386.99
    transcutol 731.24
    n-heptanol 234.04
    ethylbenzene 315.19
    MIBK 364.55
    2-propoxyethanol 604.07
    tert-butanol 234.56
    MTBE 545.22
    2-butoxyethanol 240.55
    propionic acid 108.27
    o-xylene 322.67
    formic acid 12.72
    diethyl ether 934.13
    m-xylene 430.97
    p-xylene 378.88
    chlorobenzene 607.42
    dimethyl carbonate 152.37
    n-octane 134.37
    formamide 32.47
    cyclopentanone 936.85
    2-pentanone 577.7
    anisole 402.24
    cyclopentyl methyl ether 921.74
    gamma-butyrolactone 807.07
    1-methoxy-2-propanol 211.81
    pyridine 821.33
    3-pentanone 485.48
    furfural 412.31
    n-dodecane 82.18
    diethylene glycol 144.44
    diisopropyl ether 319.74
    tert-amyl alcohol 170.27
    acetylacetone 435.17
    n-hexadecane 97.3
    acetophenone 287.27
    methyl propionate 384.8
    isopentyl acetate 902.53
    trichloroethylene 993.75
    n-nonanol 214.85
    cyclohexanol 299.48
    benzyl alcohol 173.57
    2-ethylhexanol 557.57
    isooctanol 178.67
    dipropyl ether 1307.7
    1,2-dichlorobenzene 417.49
    ethyl lactate 85.2
    propylene carbonate 422.87
    n-methylformamide 160.87
    2-pentanol 182.51
    n-pentane 221.98
    1-propoxy-2-propanol 495.83
    1-methoxy-2-propyl acetate 632.57
    2-(2-methoxypropoxy) propanol 227.26
    mesitylene 281.54
    ε-caprolactone 651.74
    p-cymene 342.04
    epichlorohydrin 892.09
    1,1,1-trichloroethane 629.61
    2-aminoethanol 36.58
    morpholine-4-carbaldehyde 507.49
    sulfolane 471.16
    2,2,4-trimethylpentane 73.92
    2-methyltetrahydrofuran 1263.47
    n-hexyl acetate 523.95
    isooctane 81.56
    2-(2-butoxyethoxy)ethanol 316.3
    sec-butyl acetate 272.18
    tert-butyl acetate 424.0
    decalin 168.0
    glycerin 26.12
    diglyme 657.73
    acrylic acid 65.97
    isopropyl myristate 253.83
    n-butyric acid 283.33
    acetyl acetate 290.22
    di(2-ethylhexyl) phthalate 157.61
    ethyl propionate 348.51
    nitromethane 232.85
    1,2-diethoxyethane 896.23
    benzonitrile 364.8
    trioctyl phosphate 134.95
    1-bromopropane 775.06
    gamma-valerolactone 824.13
    n-decanol 169.63
    triethyl phosphate 193.26
    4-methyl-2-pentanol 133.77
    propionitrile 442.82
    vinylene carbonate 349.27
    1,1,2-trichlorotrifluoroethane 178.01
    DMS 293.15
    cumene 209.58
    2-octanol 156.2
    2-hexanone 431.86
    octyl acetate 292.5
    limonene 533.35
    1,2-dimethoxyethane 602.14
    ethyl orthosilicate 209.55
    tributyl phosphate 164.18
    diacetone alcohol 234.7
    N,N-dimethylaniline 269.82
    acrylonitrile 338.07
    aniline 318.47
    1,3-propanediol 88.72
    bromobenzene 751.41
    dibromomethane 909.84
    1,1,2,2-tetrachloroethane 618.09
    2-methyl-cyclohexyl acetate 400.55
    tetrabutyl urea 218.71
    diisobutyl methanol 249.37
    2-phenylethanol 353.28
    styrene 358.21
    dioctyl adipate 249.25
    dimethyl sulfate 138.15
    ethyl butyrate 702.04
    methyl lactate 72.66
    butyl lactate 161.1
    diethyl carbonate 352.42
    propanediol butyl ether 132.61
    triethyl orthoformate 414.37
    p-tert-butyltoluene 331.46
    methyl 4-tert-butylbenzoate 266.6
    morpholine 1184.74
    tert-butylamine 227.06
    n-dodecanol 141.82
    dimethoxymethane 599.26
    ethylene carbonate 361.43
    cyrene 177.08
    2-ethoxyethyl acetate 424.08
    2-ethylhexyl acetate 850.59
    1,2,4-trichlorobenzene 389.27
    4-methylpyridine 812.46
    dibutyl ether 650.49
    2,6-dimethyl-4-heptanol 249.37
    DEF 483.8
    dimethyl isosorbide 529.88
    tetrachloroethylene 428.36
    eugenol 197.02
    triacetin 284.19
    span 80 219.56
    1,4-butanediol 31.53
    1,1-dichloroethane 663.08
    2-methyl-1-pentanol 169.72
    methyl formate 149.29
    2-methyl-1-butanol 186.75
    n-decane 144.73
    butyronitrile 586.04
    3,7-dimethyl-1-octanol 229.68
    1-chlorooctane 333.57
    1-chlorotetradecane 147.24
    n-nonane 157.27
    undecane 106.29
    tert-butylcyclohexane 148.19
    cyclooctane 222.4
    cyclopentanol 263.82
    tetrahydropyran 1763.64
    tert-amyl methyl ether 357.98
    2,5,8-trioxanonane 415.95
    1-hexene 587.52
    2-isopropoxyethanol 139.77
    2,2,2-trifluoroethanol 24.61
    methyl butyrate 427.39

    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
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.08%