(-)-Ambroxide

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  • Identifiers

    CAS number
    6790-58-5

    Molecular formula
    C16H28O

    SMILES
    C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCO3)C)(C)C

  • Odor profile

    Woody 88.17%
    Amber 67.45%
    Dry 63.54%
    Cedar 57.23%
    Musk 50.66%
    Green 48.07%
    Sweet 43.87%
    Camphoreous 41.11%
    Spicy 39.95%
    Pine 39.38%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    306°C

    Flash point est.
    144.38 ˚C

    Solubility expt.

    • Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • (-)-Ambroxide
    • 6790-58-5
    • Ambroxide, (-)-
    • TD34B3O8M9
    • Ambroxan
    • Ambroxide
    • Ambrox
    • (-)-ambrox
    • Ambroxide, (+/-)-
    • K60YJF1E9A
    • AMBERMOX
    • AMBROFIX
    • FEMA No. 3471
    • ORCANOX
    • DTXSID0047113
    • CHEBI:78307
    • (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan
    • (+/-)-Ambrox
    • AMBROXIDE [MI]
    • (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
    • EINECS 229-861-2
    • (-)-NORLABDANE OXIDE
    • DTXCID8027113
    • EC 229-861-2
    • 8alpha,12-Oxido-13,14,15,16-tetranorlabdane
    • Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-
    • 100679-85-4
    • Dodecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furan, (3aR-(3aalpha,5abeta,9aalpha,9bbeta))-
    • Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-rel-
    • A575915
    • Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR-(3aalpha,5abeta,9aalpha,9bbeta))-
    • A-575915
    • 1,5,5,9-Tetramethyl-13-oxatricyclo(8.3.0.0(4,9))tridecane, (-)-
    • (+/-)-(3aalpha,5abeta,9aalpha,9bbeta)-3a,6,6,9a-Tetramethyldodecahydronaphtho(2,1-b)furan
    • Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aalpha,5abeta,9aalpha,9bbeta)-
    • Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-
    • (+/-)-(3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-3A,6,6,9A-TETRAMETHYLDODECAHYDRONAPHTHO(2,1-B)FURAN
    • NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-
    • NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3AR-(3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.))-
    • Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3aR-(3a.alpha.,5a.beta.,9a.alpha.,9b.beta.)]-
    • UNII-TD34B3O8M9
    • 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.04,9]tridecane
    • 1,5,5,9-Tetramethyl-13-oxatricyclo (8.3.0.0.(4.9))tridecane
    • (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho(2,1-b)furan
    • (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo(e)(1)benzofuran
    • MFCD00134491
    • Ambroxide (Standard)
    • UNII-K60YJF1E9A
    • (-)-Ambroxide, 99%
    • SCHEMBL114912
    • (-)-Ambroxide, >=99%
    • CHEMBL496447
    • HY-N1384R
    • (-)-Ambroxide, analytical standard
    • HY-N1384
    • Tox21_302674
    • s5175
    • AKOS025311143
    • CCG-266845
    • NCGC00256883-01
    • AC-35128
    • AS-56452
    • CAS-6790-58-5
    • A2472
    • CS-0016804
    • NS00096106
    • D88521
    • Q2793438
    • F0001-1783
    • 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane
    • 1,5,5,9-Tetramethyl-13-oxatricyclo(8.3.0.0(sup 4,9))tridecane
    • (3AR-(3aalpha,5abeta,9aalpha,9bbeta))-dodecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furan
    • NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-(+/-)-
    • Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aalpha,5abeta,9aalpha,9bbeta)-(+/-)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.02
    methanol 269.64
    isopropanol 215.21
    water 3.61
    ethyl acetate 559.74
    n-propanol 294.38
    acetone 553.82
    n-butanol 290.95
    acetonitrile 621.71
    DMF 559.78
    toluene 873.81
    isobutanol 243.89
    1,4-dioxane 1208.22
    methyl acetate 525.25
    THF 1811.77
    2-butanone 477.13
    n-pentanol 148.32
    sec-butanol 172.91
    n-hexane 63.51
    ethylene glycol 54.43
    NMP 740.75
    cyclohexane 301.73
    DMSO 293.14
    n-butyl acetate 570.33
    n-octanol 165.42
    chloroform 1887.04
    n-propyl acetate 336.45
    acetic acid 306.36
    dichloromethane 1645.01
    cyclohexanone 1151.75
    propylene glycol 67.46
    isopropyl acetate 437.4
    DMAc 422.03
    2-ethoxyethanol 196.71
    isopentanol 251.89
    n-heptane 115.91
    ethyl formate 391.87
    1,2-dichloroethane 770.31
    n-hexanol 370.59
    2-methoxyethanol 353.93
    isobutyl acetate 309.88
    tetrachloromethane 366.59
    n-pentyl acetate 376.49
    transcutol 750.74
    n-heptanol 193.58
    ethylbenzene 276.22
    MIBK 335.35
    2-propoxyethanol 499.91
    tert-butanol 229.43
    MTBE 309.4
    2-butoxyethanol 286.52
    propionic acid 294.0
    o-xylene 406.13
    formic acid 102.26
    diethyl ether 444.87
    m-xylene 512.83
    p-xylene 383.27
    chlorobenzene 931.23
    dimethyl carbonate 255.92
    n-octane 35.77
    formamide 146.16
    cyclopentanone 1153.6
    2-pentanone 430.19
    anisole 397.28
    cyclopentyl methyl ether 781.04
    gamma-butyrolactone 1286.02
    1-methoxy-2-propanol 285.8
    pyridine 1118.6
    3-pentanone 391.43
    furfural 950.79
    n-dodecane 30.08
    diethylene glycol 275.66
    diisopropyl ether 195.12
    tert-amyl alcohol 152.98
    acetylacetone 571.03
    n-hexadecane 35.87
    acetophenone 377.93
    methyl propionate 450.77
    isopentyl acetate 523.95
    trichloroethylene 1437.43
    n-nonanol 153.85
    cyclohexanol 425.38
    benzyl alcohol 298.08
    2-ethylhexanol 247.29
    isooctanol 162.23
    dipropyl ether 370.4
    1,2-dichlorobenzene 720.74
    ethyl lactate 150.27
    propylene carbonate 751.59
    n-methylformamide 348.64
    2-pentanol 172.88
    n-pentane 94.0
    1-propoxy-2-propanol 349.44
    1-methoxy-2-propyl acetate 526.34
    2-(2-methoxypropoxy) propanol 252.4
    mesitylene 320.62
    ε-caprolactone 929.58
    p-cymene 249.78
    epichlorohydrin 1109.93
    1,1,1-trichloroethane 858.26
    2-aminoethanol 121.81
    morpholine-4-carbaldehyde 815.07
    sulfolane 828.6
    2,2,4-trimethylpentane 46.04
    2-methyltetrahydrofuran 1023.66
    n-hexyl acetate 460.85
    isooctane 43.32
    2-(2-butoxyethoxy)ethanol 313.52
    sec-butyl acetate 276.32
    tert-butyl acetate 425.02
    decalin 98.2
    glycerin 103.53
    diglyme 639.28
    acrylic acid 278.59
    isopropyl myristate 192.08
    n-butyric acid 437.82
    acetyl acetate 479.05
    di(2-ethylhexyl) phthalate 181.67
    ethyl propionate 321.28
    nitromethane 616.85
    1,2-diethoxyethane 412.0
    benzonitrile 630.67
    trioctyl phosphate 142.03
    1-bromopropane 538.59
    gamma-valerolactone 1364.95
    n-decanol 112.19
    triethyl phosphate 191.15
    4-methyl-2-pentanol 144.22
    propionitrile 551.7
    vinylene carbonate 794.1
    1,1,2-trichlorotrifluoroethane 501.72
    DMS 395.35
    cumene 192.78
    2-octanol 122.29
    2-hexanone 283.63
    octyl acetate 223.16
    limonene 320.49
    1,2-dimethoxyethane 443.4
    ethyl orthosilicate 188.49
    tributyl phosphate 169.38
    diacetone alcohol 286.66
    N,N-dimethylaniline 252.91
    acrylonitrile 603.09
    aniline 564.95
    1,3-propanediol 194.72
    bromobenzene 1086.89
    dibromomethane 1055.1
    1,1,2,2-tetrachloroethane 1021.54
    2-methyl-cyclohexyl acetate 357.3
    tetrabutyl urea 194.74
    diisobutyl methanol 158.87
    2-phenylethanol 397.48
    styrene 350.63
    dioctyl adipate 242.41
    dimethyl sulfate 287.64
    ethyl butyrate 384.5
    methyl lactate 167.66
    butyl lactate 236.81
    diethyl carbonate 273.8
    propanediol butyl ether 196.32
    triethyl orthoformate 292.17
    p-tert-butyltoluene 236.89
    methyl 4-tert-butylbenzoate 332.75
    morpholine 1017.78
    tert-butylamine 191.23
    n-dodecanol 86.51
    dimethoxymethane 566.14
    ethylene carbonate 704.86
    cyrene 265.35
    2-ethoxyethyl acetate 483.6
    2-ethylhexyl acetate 455.81
    1,2,4-trichlorobenzene 771.11
    4-methylpyridine 1068.71
    dibutyl ether 233.99
    2,6-dimethyl-4-heptanol 158.87
    DEF 421.93
    dimethyl isosorbide 555.77
    tetrachloroethylene 703.53
    eugenol 285.34
    triacetin 365.54
    span 80 248.03
    1,4-butanediol 70.14
    1,1-dichloroethane 766.68
    2-methyl-1-pentanol 148.45
    methyl formate 330.95
    2-methyl-1-butanol 215.44
    n-decane 51.93
    butyronitrile 527.88
    3,7-dimethyl-1-octanol 167.12
    1-chlorooctane 170.91
    1-chlorotetradecane 73.09
    n-nonane 49.34
    undecane 37.93
    tert-butylcyclohexane 71.14
    cyclooctane 115.22
    cyclopentanol 424.65
    tetrahydropyran 1194.49
    tert-amyl methyl ether 221.74
    2,5,8-trioxanonane 387.21
    1-hexene 160.0
    2-isopropoxyethanol 169.58
    2,2,2-trifluoroethanol 172.61
    methyl butyrate 365.08

    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