alpha-Teresantalic acid

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  • Identifiers

    CAS number
    562-66-3

    Molecular formula
    C10H14O2

    SMILES
    CC1(C2CC3C1(C3C2)C)C(=O)O

  • Odor profile

    Woody 58.65%
    Balsamic 42.45%
    Odorless 40.47%
    Herbal 36.82%
    Cedar 33.59%
    Cooling 32.12%
    Pine 31.04%
    Spicy 29.52%
    Camphoreous 29.03%
    Amber 28.86%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.16 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Melting point expt.

    • 158 °C

    Flash point est.
    72.8 ˚C

  • Synonyms

    • alpha-Teresantalic acid
    • 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid
    • Teresantalic acid
    • a-Teresantalic acid
    • .alpha.-Teresantalic acid
    • CHEBI:195770
    • QHDPITNBVDSMQH-UHFFFAOYSA-N
    • DTXSID201146497
    • 562-66-3
    • Q67879685
    • 2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptane-3-carboxylic acid
    • Tricyclo[2.2.1.02,6]heptane-3-carboxylic acid, 2,3-dimethyl-
    • stereoisomer of 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid

  • Applications

    Alpha-Teresantalic acid (CAS 562-66-3) is a natural sesquiterpene acid reported from sandalwood; in practice it is used mainly as a reference standard and chemical marker to identify, quantify, and authenticate sandalwood raw materials, essential oils, and extracts by GC-MS/LC-MS for quality control, and to investigate metabolism and sesquiterpene biosynthesis; additionally, its terpenoid scaffold with a carboxylic acid handle makes it a useful building block/precursor for preparing derivatives in organic synthesis for bioactivity screening, aroma optimization, and structure–activity studies, and as a comparator in stability and oxidative degradation studies of santalols, with usage largely confined to research rather than therapeutic applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.47
    methanol 253.94
    isopropanol 135.31
    water 7.98
    ethyl acetate 101.97
    n-propanol 125.26
    acetone 140.0
    n-butanol 99.66
    acetonitrile 99.77
    DMF 174.57
    toluene 36.87
    isobutanol 78.48
    1,4-dioxane 270.62
    methyl acetate 102.23
    THF 390.93
    2-butanone 102.78
    n-pentanol 53.95
    sec-butanol 77.1
    n-hexane 4.05
    ethylene glycol 69.64
    NMP 77.7
    cyclohexane 5.78
    DMSO 167.66
    n-butyl acetate 54.24
    n-octanol 25.51
    chloroform 166.9
    n-propyl acetate 47.04
    acetic acid 117.76
    dichloromethane 130.86
    cyclohexanone 105.1
    propylene glycol 58.26
    isopropyl acetate 80.29
    DMAc 91.23
    2-ethoxyethanol 130.26
    isopentanol 82.65
    n-heptane 4.19
    ethyl formate 65.31
    1,2-dichloroethane 94.08
    n-hexanol 69.62
    2-methoxyethanol 283.18
    isobutyl acetate 35.89
    tetrachloromethane 39.7
    n-pentyl acetate 43.27
    transcutol 264.77
    n-heptanol 43.13
    ethylbenzene 21.02
    MIBK 79.52
    2-propoxyethanol 185.35
    tert-butanol 136.22
    MTBE 94.79
    2-butoxyethanol 105.88
    propionic acid 78.15
    o-xylene 28.87
    formic acid 131.53
    diethyl ether 107.43
    m-xylene 36.64
    p-xylene 33.34
    chlorobenzene 47.77
    dimethyl carbonate 60.84
    n-octane 2.34
    formamide 230.14
    cyclopentanone 153.34
    2-pentanone 94.42
    anisole 61.56
    cyclopentyl methyl ether 100.78
    gamma-butyrolactone 168.32
    1-methoxy-2-propanol 220.36
    pyridine 112.82
    3-pentanone 64.27
    furfural 135.04
    n-dodecane 1.75
    diethylene glycol 189.35
    diisopropyl ether 39.24
    tert-amyl alcohol 78.37
    acetylacetone 114.21
    n-hexadecane 2.03
    acetophenone 47.93
    methyl propionate 81.65
    isopentyl acetate 57.39
    trichloroethylene 160.51
    n-nonanol 28.07
    cyclohexanol 58.7
    benzyl alcohol 50.74
    2-ethylhexanol 32.79
    isooctanol 35.68
    dipropyl ether 39.26
    1,2-dichlorobenzene 44.81
    ethyl lactate 37.19
    propylene carbonate 73.49
    n-methylformamide 151.51
    2-pentanol 68.01
    n-pentane 6.27
    1-propoxy-2-propanol 109.26
    1-methoxy-2-propyl acetate 101.2
    2-(2-methoxypropoxy) propanol 79.35
    mesitylene 26.19
    ε-caprolactone 88.47
    p-cymene 18.13
    epichlorohydrin 214.08
    1,1,1-trichloroethane 89.13
    2-aminoethanol 119.64
    morpholine-4-carbaldehyde 153.8
    sulfolane 137.35
    2,2,4-trimethylpentane 4.23
    2-methyltetrahydrofuran 152.49
    n-hexyl acetate 50.82
    isooctane 5.44
    2-(2-butoxyethoxy)ethanol 109.37
    sec-butyl acetate 39.21
    tert-butyl acetate 95.27
    decalin 4.56
    glycerin 106.25
    diglyme 179.37
    acrylic acid 74.39
    isopropyl myristate 23.76
    n-butyric acid 94.72
    acetyl acetate 65.63
    di(2-ethylhexyl) phthalate 26.92
    ethyl propionate 48.43
    nitromethane 204.42
    1,2-diethoxyethane 83.63
    benzonitrile 48.95
    trioctyl phosphate 20.73
    1-bromopropane 47.02
    gamma-valerolactone 213.14
    n-decanol 20.47
    triethyl phosphate 26.79
    4-methyl-2-pentanol 54.74
    propionitrile 77.31
    vinylene carbonate 77.63
    1,1,2-trichlorotrifluoroethane 124.92
    DMS 57.54
    cumene 18.96
    2-octanol 24.45
    2-hexanone 52.01
    octyl acetate 28.96
    limonene 20.38
    1,2-dimethoxyethane 172.0
    ethyl orthosilicate 27.19
    tributyl phosphate 22.27
    diacetone alcohol 117.37
    N,N-dimethylaniline 39.49
    acrylonitrile 94.17
    aniline 69.28
    1,3-propanediol 164.88
    bromobenzene 40.65
    dibromomethane 79.29
    1,1,2,2-tetrachloroethane 118.87
    2-methyl-cyclohexyl acetate 39.04
    tetrabutyl urea 26.08
    diisobutyl methanol 29.42
    2-phenylethanol 76.48
    styrene 20.9
    dioctyl adipate 27.91
    dimethyl sulfate 76.06
    ethyl butyrate 41.08
    methyl lactate 64.42
    butyl lactate 43.58
    diethyl carbonate 32.55
    propanediol butyl ether 68.78
    triethyl orthoformate 36.25
    p-tert-butyltoluene 18.98
    methyl 4-tert-butylbenzoate 60.61
    morpholine 255.34
    tert-butylamine 76.97
    n-dodecanol 14.69
    dimethoxymethane 214.14
    ethylene carbonate 69.04
    cyrene 59.65
    2-ethoxyethyl acetate 76.7
    2-ethylhexyl acetate 40.07
    1,2,4-trichlorobenzene 51.06
    4-methylpyridine 94.04
    dibutyl ether 26.16
    2,6-dimethyl-4-heptanol 29.42
    DEF 67.63
    dimethyl isosorbide 114.81
    tetrachloroethylene 94.79
    eugenol 65.52
    triacetin 50.44
    span 80 59.79
    1,4-butanediol 53.44
    1,1-dichloroethane 95.41
    2-methyl-1-pentanol 44.76
    methyl formate 112.63
    2-methyl-1-butanol 62.65
    n-decane 2.97
    butyronitrile 72.01
    3,7-dimethyl-1-octanol 29.79
    1-chlorooctane 12.77
    1-chlorotetradecane 5.69
    n-nonane 2.52
    undecane 2.22
    tert-butylcyclohexane 4.83
    cyclooctane 2.75
    cyclopentanol 81.92
    tetrahydropyran 151.33
    tert-amyl methyl ether 55.12
    2,5,8-trioxanonane 119.0
    1-hexene 15.37
    2-isopropoxyethanol 84.95
    2,2,2-trifluoroethanol 86.2
    methyl butyrate 51.84

    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) 1 8006-87-9 Santalum album L., fam. Santalaceae 0.05%