Tonalide

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  • Identifiers

    CAS number
    21145-77-7

    Molecular formula
    C18H26O

    SMILES
    CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 77.02%
    Musk 76.49%
    Powdery 57.19%
    Fruity 53.65%
    Woody 51.32%
    Amber 48.71%
    Dry 46.49%
    Floral 39.4%
    Tobacco 32.12%
    Berry 29.9%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    Molecular weight
    258.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 54.5 °C

    Boiling point

    • The boiling temperature at atmospheric pressure is 326 +/- 4 °C.

    Flash point est.
    135.51 ˚C

    Solubility expt.

    • In water, 1.25 mg/L, temp not specified

  • Synonyms

    • Tonalide
    • 21145-77-7
    • Tonalid
    • 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin
    • 1506-02-1
    • 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
    • Acetyl hexamethyl tetralin
    • fixolide
    • Tetralide
    • Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-
    • Tentarome
    • Musk tonalid
    • AHMT (perfume)
    • AHTN
    • acetyl methyl tetramethyl tetralin
    • 7-Acetyl-1,1,3,4,4,6-hexamethyltetralin
    • EINECS 216-133-4
    • NSC 19550
    • EXTRALIDE
    • CCRIS 8403
    • DTXSID7041544
    • 7-Acetyl-1,1,3,4,4,6-hexamethyltetrahydronaphthalene
    • 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
    • TONALID [HSDB]
    • EINECS 244-240-6
    • NSC-19550
    • 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
    • AI3-28517
    • CCRIS 8496
    • DTXCID5021544
    • FEMA NO. 4879
    • CHEBI:88666
    • HSDB 7515
    • EC 216-133-4
    • 360Q8Z01IP
    • 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one
    • 6-Acetyl-1,1,2,4,4,7-hexamethyl-1,2,3,4-tetrahydronaphthalene
    • 6-acetyl-1,1,2,4,4,7-hexamethyltetraline
    • 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)ethanone
    • 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-
    • EC 244-240-6
    • 2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene
    • AHTN musk fragrance
    • C18H26O
    • 7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene
    • musk tetralin
    • SCHEMBL110818
    • UNII-360Q8Z01IP
    • CHEMBL3184267
    • DTXSID501015522
    • AHTN 10 microg/mL in Cyclohexane
    • NSC19550
    • Tox21_301256
    • BBL018868
    • MFCD00437355
    • STL195398
    • 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethan- one
    • AKOS015920154
    • AHTN-d3 100 microg/mL in Isooctane
    • CS-W012533
    • FT28327
    • GS-4166
    • 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- (VAN)
    • AHTN-d3 100 Amicrog/mL in Isooctane
    • Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VAN)
    • ACETYL HEXAMETHYL TETRALIN [INCI]
    • NCGC00255431-01
    • CAS-21145-77-7
    • 7-acetyl-1,1,3,4,4,6-hexamethyltetraline
    • NS00003324
    • D82107
    • 7-Acetyl-1,3,4,4,6-hexamethyltetrahydronaphthalene
    • Q2409972
    • 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, >=98%
    • 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, AldrichCPR
    • 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, analytical standard
    • 1(5,6,7,8Tetrahydro3,5,5,6,8,8hexamethyl2naphthyl)ethan1one
    • 1,1,3,4,4,6-Hexamethyl-7-acetyl-1,2,3,4-tetrahydronaphthalene
    • Ethanone, 1(5,6,7,8tetrahydro3,5,5,6,8,8hexamethyl2naphthalenyl)
    • 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethanone #
    • 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-ethanone
    • 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethan-one
    • 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone
    • 2'-Acetonaphthone,6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-
    • 2'Acetonaphthone, 5',6',7',8'tetrahydro3',5',5',6',8',8'hexamethyl
    • Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-napthalenyl)-
    • Ethanone,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VA
    • (+/-)-1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-ethanone
    • 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-(VAN)
    • 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-(VAN) (8CI)
    • 2'-Acetonaphtone, 5,'6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-
    • Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-(VAN)
    • Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-(VAN) (9CI)
    • 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-ethanone;5',6',7',8'-Tetrahydro-3',5',5',6',8',8'-hexamethyl-2'-acetona phthone
    • 21195-77-7
    • 216-133-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 244.81
    methanol 189.17
    isopropanol 245.41
    water 0.24
    ethyl acetate 880.51
    n-propanol 358.92
    acetone 873.33
    n-butanol 307.61
    acetonitrile 608.11
    DMF 1783.83
    toluene 1319.53
    isobutanol 307.0
    1,4-dioxane 1765.33
    methyl acetate 918.01
    THF 2784.41
    2-butanone 1165.25
    n-pentanol 216.22
    sec-butanol 302.26
    n-hexane 126.04
    ethylene glycol 33.19
    NMP 1621.6
    cyclohexane 242.8
    DMSO 442.88
    n-butyl acetate 718.23
    n-octanol 203.49
    chloroform 2461.26
    n-propyl acetate 497.06
    acetic acid 167.02
    dichloromethane 2150.76
    cyclohexanone 1743.74
    propylene glycol 75.51
    isopropyl acetate 568.74
    DMAc 1206.78
    2-ethoxyethanol 262.21
    isopentanol 287.43
    n-heptane 75.79
    ethyl formate 428.45
    1,2-dichloroethane 1461.82
    n-hexanol 442.59
    2-methoxyethanol 424.73
    isobutyl acetate 390.33
    tetrachloromethane 414.36
    n-pentyl acetate 488.25
    transcutol 765.22
    n-heptanol 227.64
    ethylbenzene 561.93
    MIBK 496.25
    2-propoxyethanol 637.88
    tert-butanol 332.29
    MTBE 681.7
    2-butoxyethanol 357.74
    propionic acid 305.93
    o-xylene 655.43
    formic acid 42.54
    diethyl ether 768.71
    m-xylene 766.12
    p-xylene 743.36
    chlorobenzene 1222.75
    dimethyl carbonate 438.52
    n-octane 36.94
    formamide 118.35
    cyclopentanone 2268.0
    2-pentanone 836.06
    anisole 842.05
    cyclopentyl methyl ether 1273.0
    gamma-butyrolactone 2016.88
    1-methoxy-2-propanol 430.85
    pyridine 1766.0
    3-pentanone 843.53
    furfural 1288.79
    n-dodecane 23.96
    diethylene glycol 257.8
    diisopropyl ether 267.03
    tert-amyl alcohol 323.7
    acetylacetone 846.63
    n-hexadecane 30.43
    acetophenone 702.18
    methyl propionate 828.67
    isopentyl acetate 660.13
    trichloroethylene 2813.6
    n-nonanol 190.08
    cyclohexanol 512.39
    benzyl alcohol 504.02
    2-ethylhexanol 297.61
    isooctanol 195.79
    dipropyl ether 409.73
    1,2-dichlorobenzene 972.88
    ethyl lactate 209.34
    propylene carbonate 936.7
    n-methylformamide 526.4
    2-pentanol 247.14
    n-pentane 102.46
    1-propoxy-2-propanol 467.57
    1-methoxy-2-propyl acetate 670.57
    2-(2-methoxypropoxy) propanol 301.39
    mesitylene 432.53
    ε-caprolactone 1298.69
    p-cymene 289.92
    epichlorohydrin 2168.08
    1,1,1-trichloroethane 1464.62
    2-aminoethanol 104.9
    morpholine-4-carbaldehyde 1564.93
    sulfolane 1439.1
    2,2,4-trimethylpentane 57.39
    2-methyltetrahydrofuran 1870.69
    n-hexyl acetate 649.93
    isooctane 45.27
    2-(2-butoxyethoxy)ethanol 371.91
    sec-butyl acetate 383.03
    tert-butyl acetate 600.72
    decalin 120.71
    glycerin 83.17
    diglyme 797.23
    acrylic acid 246.67
    isopropyl myristate 244.17
    n-butyric acid 407.41
    acetyl acetate 521.58
    di(2-ethylhexyl) phthalate 217.38
    ethyl propionate 494.15
    nitromethane 617.51
    1,2-diethoxyethane 521.87
    benzonitrile 820.83
    trioctyl phosphate 155.23
    1-bromopropane 922.82
    gamma-valerolactone 2192.38
    n-decanol 136.56
    triethyl phosphate 231.06
    4-methyl-2-pentanol 174.39
    propionitrile 700.18
    vinylene carbonate 908.04
    1,1,2-trichlorotrifluoroethane 736.97
    DMS 671.32
    cumene 334.87
    2-octanol 182.06
    2-hexanone 555.27
    octyl acetate 309.96
    limonene 364.45
    1,2-dimethoxyethane 707.54
    ethyl orthosilicate 224.23
    tributyl phosphate 185.92
    diacetone alcohol 480.48
    N,N-dimethylaniline 550.74
    acrylonitrile 750.67
    aniline 831.75
    1,3-propanediol 158.35
    bromobenzene 1432.41
    dibromomethane 1413.74
    1,1,2,2-tetrachloroethane 1949.26
    2-methyl-cyclohexyl acetate 451.17
    tetrabutyl urea 253.89
    diisobutyl methanol 164.5
    2-phenylethanol 611.2
    styrene 646.16
    dioctyl adipate 310.74
    dimethyl sulfate 575.07
    ethyl butyrate 466.67
    methyl lactate 262.96
    butyl lactate 312.47
    diethyl carbonate 328.82
    propanediol butyl ether 278.67
    triethyl orthoformate 324.67
    p-tert-butyltoluene 294.48
    methyl 4-tert-butylbenzoate 490.23
    morpholine 1833.92
    tert-butylamine 260.95
    n-dodecanol 99.28
    dimethoxymethane 983.15
    ethylene carbonate 749.11
    cyrene 454.03
    2-ethoxyethyl acetate 622.56
    2-ethylhexyl acetate 580.47
    1,2,4-trichlorobenzene 1104.09
    4-methylpyridine 1956.81
    dibutyl ether 308.09
    2,6-dimethyl-4-heptanol 164.5
    DEF 948.67
    dimethyl isosorbide 781.48
    tetrachloroethylene 1132.23
    eugenol 447.01
    triacetin 502.72
    span 80 300.82
    1,4-butanediol 74.94
    1,1-dichloroethane 1452.61
    2-methyl-1-pentanol 236.25
    methyl formate 460.55
    2-methyl-1-butanol 304.62
    n-decane 48.42
    butyronitrile 627.09
    3,7-dimethyl-1-octanol 198.09
    1-chlorooctane 227.98
    1-chlorotetradecane 82.16
    n-nonane 46.79
    undecane 32.96
    tert-butylcyclohexane 104.39
    cyclooctane 89.98
    cyclopentanol 562.26
    tetrahydropyran 1996.45
    tert-amyl methyl ether 500.01
    2,5,8-trioxanonane 465.13
    1-hexene 367.2
    2-isopropoxyethanol 247.67
    2,2,2-trifluoroethanol 108.28
    methyl butyrate 602.82

    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