(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enal

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  • Identifiers

    CAS number
    13827-97-9

    Molecular formula
    C15H22O

    SMILES
    C/C(=C\CCC1(C2CC3C1(C3C2)C)C)/C=O

  • Odor profile

    Woody 81.62%
    Sandalwood 53.44%
    Amber 40.25%
    Powdery 36.31%
    Dry 36.2%
    Waxy 34.77%
    Floral 34.22%
    Violet 33.2%
    Sweet 32.85%
    Vetiver 32.34%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point est.
    72.49 ˚C

  • Synonyms

    • 13827-97-9
    • (E)-.alpha.-Santalal
    • SHEUEEZGXLCROM-BJMVGYQFSA-N
    • 5-(2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-pentenal
    • (E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enal

  • Applications

    (E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enal (CAS 13827-97-9) is a rigid norbornane-based aldehyde used mainly as a fragrance ingredient for its strong diffusion and fresh, slightly camphoraceous, green-woody/piney facets, brightening top notes and reinforcing fougère, chypre, woody–aromatic, citrus and laundry accords; it shows good stability in soaps, detergents, home/personal care, and air/fabric care applications. In R&D, its bulky, stereodefined scaffold is useful as a synthetic building block (imine formation, aldol chemistry, reduction to the alcohol followed by esterification to create fragrance derivatives), as an odorant in controlled-release/microencapsulation systems, and as a GC–MS reference in method development, stability studies, and impurity profiling; handling typically follows IFRA/GHS safety guidance with regulatory identification under frameworks such as REACH and TSCA.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 629.42
    methanol 555.66
    isopropanol 600.68
    water 4.06
    ethyl acetate 978.97
    n-propanol 525.35
    acetone 757.12
    n-butanol 482.66
    acetonitrile 504.94
    DMF 591.58
    toluene 590.1
    isobutanol 329.64
    1,4-dioxane 1774.89
    methyl acetate 649.3
    THF 1432.86
    2-butanone 536.37
    n-pentanol 183.94
    sec-butanol 294.36
    n-hexane 29.75
    ethylene glycol 143.02
    NMP 159.15
    cyclohexane 89.21
    DMSO 289.83
    n-butyl acetate 345.48
    n-octanol 45.98
    chloroform 1469.02
    n-propyl acetate 344.0
    acetic acid 451.42
    dichloromethane 962.5
    cyclohexanone 507.26
    propylene glycol 170.72
    isopropyl acetate 776.38
    DMAc 426.26
    2-ethoxyethanol 563.26
    isopentanol 392.31
    n-heptane 15.19
    ethyl formate 321.19
    1,2-dichloroethane 719.92
    n-hexanol 211.73
    2-methoxyethanol 1032.07
    isobutyl acetate 252.81
    tetrachloromethane 262.83
    n-pentyl acetate 142.5
    transcutol 1748.12
    n-heptanol 76.17
    ethylbenzene 216.38
    MIBK 421.93
    2-propoxyethanol 703.04
    tert-butanol 630.77
    MTBE 822.96
    2-butoxyethanol 302.23
    propionic acid 310.82
    o-xylene 277.97
    formic acid 256.13
    diethyl ether 1067.51
    m-xylene 356.45
    p-xylene 266.93
    chlorobenzene 438.46
    dimethyl carbonate 405.37
    n-octane 6.06
    formamide 587.37
    cyclopentanone 490.52
    2-pentanone 533.84
    anisole 595.36
    cyclopentyl methyl ether 513.81
    gamma-butyrolactone 531.79
    1-methoxy-2-propanol 818.69
    pyridine 891.44
    3-pentanone 417.94
    furfural 518.95
    n-dodecane 4.28
    diethylene glycol 567.5
    diisopropyl ether 356.39
    tert-amyl alcohol 322.07
    acetylacetone 851.8
    n-hexadecane 5.14
    acetophenone 327.41
    methyl propionate 577.41
    isopentyl acetate 371.84
    trichloroethylene 1225.62
    n-nonanol 52.97
    cyclohexanol 272.99
    benzyl alcohol 298.96
    2-ethylhexanol 91.93
    isooctanol 68.98
    dipropyl ether 231.32
    1,2-dichlorobenzene 390.14
    ethyl lactate 162.3
    propylene carbonate 342.91
    n-methylformamide 461.58
    2-pentanol 299.91
    n-pentane 52.13
    1-propoxy-2-propanol 399.79
    1-methoxy-2-propyl acetate 751.44
    2-(2-methoxypropoxy) propanol 294.6
    mesitylene 248.24
    ε-caprolactone 458.37
    p-cymene 95.54
    epichlorohydrin 920.4
    1,1,1-trichloroethane 814.39
    2-aminoethanol 325.24
    morpholine-4-carbaldehyde 635.72
    sulfolane 285.5
    2,2,4-trimethylpentane 23.48
    2-methyltetrahydrofuran 697.41
    n-hexyl acetate 148.47
    isooctane 31.17
    2-(2-butoxyethoxy)ethanol 420.43
    sec-butyl acetate 346.16
    tert-butyl acetate 768.57
    decalin 35.45
    glycerin 256.23
    diglyme 985.64
    acrylic acid 276.73
    isopropyl myristate 81.26
    n-butyric acid 524.35
    acetyl acetate 664.96
    di(2-ethylhexyl) phthalate 78.21
    ethyl propionate 378.82
    nitromethane 818.82
    1,2-diethoxyethane 650.52
    benzonitrile 289.35
    trioctyl phosphate 42.96
    1-bromopropane 388.2
    gamma-valerolactone 887.33
    n-decanol 39.47
    triethyl phosphate 139.17
    4-methyl-2-pentanol 231.05
    propionitrile 431.49
    vinylene carbonate 403.02
    1,1,2-trichlorotrifluoroethane 611.53
    DMS 381.6
    cumene 137.6
    2-octanol 40.76
    2-hexanone 230.23
    octyl acetate 80.43
    limonene 98.21
    1,2-dimethoxyethane 909.18
    ethyl orthosilicate 149.15
    tributyl phosphate 60.71
    diacetone alcohol 532.06
    N,N-dimethylaniline 289.05
    acrylonitrile 466.51
    aniline 618.81
    1,3-propanediol 562.46
    bromobenzene 461.55
    dibromomethane 615.4
    1,1,2,2-tetrachloroethane 961.08
    2-methyl-cyclohexyl acetate 181.28
    tetrabutyl urea 62.6
    diisobutyl methanol 100.87
    2-phenylethanol 331.85
    styrene 258.21
    dioctyl adipate 106.67
    dimethyl sulfate 309.85
    ethyl butyrate 283.04
    methyl lactate 264.83
    butyl lactate 134.96
    diethyl carbonate 220.39
    propanediol butyl ether 175.52
    triethyl orthoformate 233.45
    p-tert-butyltoluene 111.01
    methyl 4-tert-butylbenzoate 232.87
    morpholine 1457.34
    tert-butylamine 415.96
    n-dodecanol 30.75
    dimethoxymethane 1027.99
    ethylene carbonate 396.87
    cyrene 163.08
    2-ethoxyethyl acetate 418.42
    2-ethylhexyl acetate 249.83
    1,2,4-trichlorobenzene 431.83
    4-methylpyridine 730.53
    dibutyl ether 109.06
    2,6-dimethyl-4-heptanol 100.87
    DEF 400.5
    dimethyl isosorbide 380.44
    tetrachloroethylene 695.59
    eugenol 218.61
    triacetin 269.26
    span 80 174.22
    1,4-butanediol 136.66
    1,1-dichloroethane 812.85
    2-methyl-1-pentanol 159.92
    methyl formate 315.55
    2-methyl-1-butanol 265.39
    n-decane 7.37
    butyronitrile 384.92
    3,7-dimethyl-1-octanol 82.88
    1-chlorooctane 35.26
    1-chlorotetradecane 16.77
    n-nonane 6.29
    undecane 5.39
    tert-butylcyclohexane 31.72
    cyclooctane 32.18
    cyclopentanol 236.69
    tetrahydropyran 1070.32
    tert-amyl methyl ether 385.31
    2,5,8-trioxanonane 536.04
    1-hexene 97.98
    2-isopropoxyethanol 390.08
    2,2,2-trifluoroethanol 274.3
    methyl butyrate 345.92

    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
Sandalwood, indian (India) 2 8006-87-9 Santalum album L., fam. Santalaceae 2.9%
Sandalwood, indian (India) 3 8006-87-9 Santalum album L., fam. Santalaceae 0.53%
Sandalwood, indian (China) 1 8006-87-9 Santalum album L., fam. Santalaceae 0.2%