3,6,6-Trimethylbicyclo[3.1.0]hexane-3-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    13124-67-9

    Molecular formula
    C10H16O

    SMILES
    CC1(C2C1CC(C2)(C)C=O)C

  • Odor profile

    Woody 58.36%
    Green 57.09%
    Herbal 50.49%
    Fresh 47.39%
    Citrus 43.29%
    Aldehydic 43.19%
    Ozone 34.69%
    Floral 34.61%
    Dry 32.36%
    Spicy 32.02%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.22 (neutral)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point est.
    66.73 ˚C

  • Synonyms

    • 3,6,6-trimethylbicyclo[3.1.0]hexane-3-carbaldehyde
    • 13124-67-9
    • HODJJSXHJFNBQH-UHFFFAOYSA-N
    • EN300-258165
    • 3-formyl-3,6,6-trimethylbicyclo[3.1.0]-hexane
    • 3,6,6-Trimethylbicyclo-[3.1.0]-hexane-3-carboxaldehyde

  • Applications

    3,6,6-Trimethylbicyclo[3.1.0]hexane-3-carbaldehyde (CAS 13124-67-9) is a terpene-derived bicyclic aldehyde used primarily as a fragrance ingredient in fine fragrance and functional perfumery, imparting fresh, pine-like, camphoraceous, green and slightly woody nuances to perfumes, soaps, detergents, air care and personal care products; it also serves as a versatile intermediate in organic and aroma-chemical synthesis (e.g., acetal formation for odor fixation, aldol chemistry or reduction to the corresponding alcohol, oxime/hydrazone derivatization for analytical purposes), and as a research standard/reagent in scent development and performance testing, with use governed by sensitization/safety considerations and applicable IFRA or local regulatory guidance during dosing and formulation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1391.38
    methanol 786.02
    isopropanol 1466.37
    water 7.76
    ethyl acetate 2058.59
    n-propanol 1220.75
    acetone 2206.01
    n-butanol 1042.83
    acetonitrile 1864.09
    DMF 1930.53
    toluene 522.42
    isobutanol 938.47
    1,4-dioxane 1703.5
    methyl acetate 2265.84
    THF 2942.05
    2-butanone 2129.2
    n-pentanol 590.47
    sec-butanol 1106.5
    n-hexane 81.86
    ethylene glycol 372.47
    NMP 756.52
    cyclohexane 98.6
    DMSO 984.11
    n-butyl acetate 1037.41
    n-octanol 324.35
    chloroform 2841.32
    n-propyl acetate 1149.71
    acetic acid 970.29
    dichloromethane 2189.25
    cyclohexanone 1264.4
    propylene glycol 657.92
    isopropyl acetate 1444.94
    DMAc 1378.44
    2-ethoxyethanol 1081.52
    isopentanol 873.43
    n-heptane 65.49
    ethyl formate 1105.75
    1,2-dichloroethane 1371.91
    n-hexanol 729.3
    2-methoxyethanol 1719.2
    isobutyl acetate 761.24
    tetrachloromethane 464.72
    n-pentyl acetate 516.75
    transcutol 2188.32
    n-heptanol 344.91
    ethylbenzene 386.06
    MIBK 1033.03
    2-propoxyethanol 1430.96
    tert-butanol 1457.9
    MTBE 1488.46
    2-butoxyethanol 781.33
    propionic acid 1092.71
    o-xylene 347.15
    formic acid 401.15
    diethyl ether 1167.57
    m-xylene 433.72
    p-xylene 555.28
    chlorobenzene 757.84
    dimethyl carbonate 747.44
    n-octane 39.25
    formamide 822.23
    cyclopentanone 2007.28
    2-pentanone 1549.15
    anisole 949.07
    cyclopentyl methyl ether 994.6
    gamma-butyrolactone 2220.08
    1-methoxy-2-propanol 1596.48
    pyridine 1307.46
    3-pentanone 1037.38
    furfural 1531.05
    n-dodecane 32.66
    diethylene glycol 982.19
    diisopropyl ether 489.02
    tert-amyl alcohol 981.26
    acetylacetone 1776.2
    n-hexadecane 37.22
    acetophenone 784.16
    methyl propionate 1442.01
    isopentyl acetate 967.7
    trichloroethylene 2698.61
    n-nonanol 288.68
    cyclohexanol 553.25
    benzyl alcohol 600.17
    2-ethylhexanol 389.54
    isooctanol 299.87
    dipropyl ether 532.21
    1,2-dichlorobenzene 639.46
    ethyl lactate 550.52
    propylene carbonate 1339.08
    n-methylformamide 1268.51
    2-pentanol 776.62
    n-pentane 97.12
    1-propoxy-2-propanol 970.91
    1-methoxy-2-propyl acetate 1246.02
    2-(2-methoxypropoxy) propanol 688.82
    mesitylene 283.25
    ε-caprolactone 1179.6
    p-cymene 231.92
    epichlorohydrin 2534.64
    1,1,1-trichloroethane 1857.81
    2-aminoethanol 732.56
    morpholine-4-carbaldehyde 1251.04
    sulfolane 1269.14
    2,2,4-trimethylpentane 71.17
    2-methyltetrahydrofuran 1756.38
    n-hexyl acetate 765.67
    isooctane 77.78
    2-(2-butoxyethoxy)ethanol 890.13
    sec-butyl acetate 894.82
    tert-butyl acetate 1389.99
    decalin 74.56
    glycerin 646.92
    diglyme 1574.82
    acrylic acid 872.0
    isopropyl myristate 324.88
    n-butyric acid 1265.14
    acetyl acetate 1187.76
    di(2-ethylhexyl) phthalate 237.54
    ethyl propionate 1054.3
    nitromethane 2365.1
    1,2-diethoxyethane 869.31
    benzonitrile 803.95
    trioctyl phosphate 190.25
    1-bromopropane 916.9
    gamma-valerolactone 2161.22
    n-decanol 227.7
    triethyl phosphate 308.18
    4-methyl-2-pentanol 523.06
    propionitrile 1426.39
    vinylene carbonate 1195.6
    1,1,2-trichlorotrifluoroethane 1350.44
    DMS 779.78
    cumene 288.0
    2-octanol 253.38
    2-hexanone 995.46
    octyl acetate 376.31
    limonene 262.25
    1,2-dimethoxyethane 1575.7
    ethyl orthosilicate 302.96
    tributyl phosphate 249.27
    diacetone alcohol 1248.1
    N,N-dimethylaniline 523.67
    acrylonitrile 1647.94
    aniline 713.11
    1,3-propanediol 936.87
    bromobenzene 762.5
    dibromomethane 1407.58
    1,1,2,2-tetrachloroethane 1895.04
    2-methyl-cyclohexyl acetate 512.67
    tetrabutyl urea 264.53
    diisobutyl methanol 298.03
    2-phenylethanol 720.34
    styrene 435.87
    dioctyl adipate 376.75
    dimethyl sulfate 756.42
    ethyl butyrate 760.03
    methyl lactate 768.56
    butyl lactate 464.57
    diethyl carbonate 552.57
    propanediol butyl ether 649.52
    triethyl orthoformate 468.19
    p-tert-butyltoluene 238.12
    methyl 4-tert-butylbenzoate 552.02
    morpholine 1827.81
    tert-butylamine 886.82
    n-dodecanol 178.96
    dimethoxymethane 1406.49
    ethylene carbonate 984.32
    cyrene 526.9
    2-ethoxyethyl acetate 793.94
    2-ethylhexyl acetate 652.35
    1,2,4-trichlorobenzene 724.2
    4-methylpyridine 1316.09
    dibutyl ether 434.28
    2,6-dimethyl-4-heptanol 298.03
    DEF 1079.1
    dimethyl isosorbide 984.75
    tetrachloroethylene 1077.1
    eugenol 542.09
    triacetin 690.77
    span 80 489.07
    1,4-butanediol 407.56
    1,1-dichloroethane 2147.23
    2-methyl-1-pentanol 516.67
    methyl formate 1051.42
    2-methyl-1-butanol 746.86
    n-decane 53.26
    butyronitrile 1280.96
    3,7-dimethyl-1-octanol 369.17
    1-chlorooctane 229.83
    1-chlorotetradecane 97.49
    n-nonane 51.39
    undecane 40.62
    tert-butylcyclohexane 87.64
    cyclooctane 46.01
    cyclopentanol 757.14
    tetrahydropyran 1471.67
    tert-amyl methyl ether 832.14
    2,5,8-trioxanonane 919.03
    1-hexene 345.21
    2-isopropoxyethanol 877.88
    2,2,2-trifluoroethanol 613.96
    methyl butyrate 1191.22

    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
Santolina canescens Santolina rosmarinifolia (L.) ssp. canescens (Lag.) Nyman, fam. Asteraceae 0.1%
Santolina rosmarinifolia Santolina rosmarinifolia L.ssp.rosmarinifolia, fam.Asteraceae (Compositae) 0.55%
Santolina chamaecyparisus ssp. squarrosa Santolina chamaecyparisus L. ssp. squarrosa, fam. Asteraceae (Compositae) 0.05%