(+)-3-Carene

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  • Identifiers

    CAS number
    498-15-7

    Molecular formula
    C10H16

    SMILES
    CC1=CC[C@@H]2[C@H](C1)C2(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 86.32%
    Sweet 59.92%
    Spicy 56.53%
    Herbal 55.57%
    Fresh 52.09%
    Terpenic 49.12%
    Pine 47.05%
    Dry 45.2%
    Green 44.86%
    Citrus 43.01%

     

    Flavor
    Woody 69.18%
    Sweet 68.0%
    Wood 48.53%
    Pine 45.72%
    Dry 42.15%
    Fresh 39.24%
    Green 38.69%
    Camphor 38.64%
    Herbal 35.75%
    Citrus 34.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.98 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point

    • 44.37 ˚C est.

  • Synonyms

    • (+)-3-Carene
    • 498-15-7
    • (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    • Isodiprene
    • (1S)-(+)-3-Carene
    • (+)-delta3-Carene
    • (+)-car-3-ene
    • 3-Carene, (+)-
    • (S)-(+)-3-Carene
    • (+)-D-3-Carene
    • (+)-Delta(3)-carene
    • XBL40A7IA6
    • (+)-alpha-carene
    • (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    • EINECS 207-856-6
    • (+)-.delta.3-Carene
    • Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S,6R)-
    • CHEBI:7
    • 3-Carene, (1S,6R)-(+)-
    • 1alpha,6alpha-car-3-ene
    • 1352058-87-7
    • (1S,6R)-(+)-3-carene
    • DTXSID60858827
    • (1S)-3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene
    • Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-, (1S)-
    • Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-, (1S,6R)-
    • .delta. 3-carene
    • 3-.delta.-Carene
    • .DELTA.-caR-3-ene
    • Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-
    • 4,7,7-Trimethyl-3-norcarene
    • (1S,6R)-3-Carene
    • UNII-XBL40A7IA6
    • (1S,6R)-3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene
    • 3,7,7-trimethyl bicyclohept-3-ene
    • MFCD00066417
    • .delta.-3-Carene
    • Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-
    • (S)(+)3Carene
    • (+)-3-Carene 1000 microg/mL in Isopropanol
    • (1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    • 3Carene, (1S,6R)(+)
    • DTXCID40809579
    • (+)-3-Carene, analytical standard
    • AKOS024462648
    • (1S)-(+)-3-Carene, 99%
    • LMPR0102120021
    • AS-67519
    • FC161542
    • HY-126027
    • CS-0090277
    • NS00116192
    • (1S)3,7,7Trimethylbicyclo(4.1.0)hept3ene
    • Bicyclo4.1.0hept-3-ene, 3,7,7-trimethyl-
    • D78494
    • EN300-198858
    • A827862
    • Bicyclo(4.1.0)hept3ene, 3,7,7trimethyl, (1S)
    • Q15222640
    • Bicyclo(4.1.0)hept3ene, 3,7,7trimethyl, (1S,6R)
    • (+)-3-delta-Carene, primary pharmaceutical reference standard

  • Applications

    (+)-3-Carene (CAS 498-15-7) is a bicyclic monoterpene found in pine and other essential oils; in perfumery it is used as a fragrance ingredient delivering piney notes and can act as an odor fixative. It is also used in cosmetics/personal care as a fragrance component, and in household products as a scent additive for cleaners and air fresheners. It may be evaluated for use as a flavor/aroma ingredient in limited food applications. In industrial manufacturing, it is often employed as an intermediate in the synthesis of aroma chemicals and related intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 274.77
    methanol 148.64
    isopropanol 318.45
    water 0.37
    ethyl acetate 497.35
    n-propanol 303.28
    acetone 476.32
    n-butanol 346.25
    acetonitrile 280.46
    DMF 297.43
    toluene 364.6
    isobutanol 264.72
    1,4-dioxane 711.71
    methyl acetate 444.89
    THF 1007.8
    2-butanone 521.92
    n-pentanol 235.25
    sec-butanol 320.25
    n-hexane 189.13
    ethylene glycol 53.78
    NMP 204.04
    cyclohexane 208.0
    DMSO 211.15
    n-butyl acetate 486.76
    n-octanol 253.28
    chloroform 646.85
    n-propyl acetate 270.42
    acetic acid 111.82
    dichloromethane 453.02
    cyclohexanone 456.77
    propylene glycol 110.91
    isopropyl acetate 411.69
    DMAc 323.86
    2-ethoxyethanol 279.53
    isopentanol 333.14
    n-heptane 187.64
    ethyl formate 169.01
    1,2-dichloroethane 351.46
    n-hexanol 530.43
    2-methoxyethanol 364.87
    isobutyl acetate 255.8
    tetrachloromethane 172.16
    n-pentyl acetate 279.53
    transcutol 908.91
    n-heptanol 248.33
    ethylbenzene 242.51
    MIBK 389.28
    2-propoxyethanol 679.04
    tert-butanol 410.87
    MTBE 646.16
    2-butoxyethanol 346.77
    propionic acid 159.56
    o-xylene 240.54
    formic acid 27.06
    diethyl ether 673.04
    m-xylene 304.13
    p-xylene 281.39
    chlorobenzene 279.13
    dimethyl carbonate 159.68
    n-octane 85.2
    formamide 51.43
    cyclopentanone 513.64
    2-pentanone 459.59
    anisole 395.46
    cyclopentyl methyl ether 526.49
    gamma-butyrolactone 384.0
    1-methoxy-2-propanol 422.52
    pyridine 399.66
    3-pentanone 388.47
    furfural 276.24
    n-dodecane 66.61
    diethylene glycol 312.65
    diisopropyl ether 341.92
    tert-amyl alcohol 348.86
    acetylacetone 431.91
    n-hexadecane 74.92
    acetophenone 263.07
    methyl propionate 353.79
    isopentyl acetate 489.64
    trichloroethylene 506.35
    n-nonanol 239.23
    cyclohexanol 269.33
    benzyl alcohol 197.02
    2-ethylhexanol 343.82
    isooctanol 209.9
    dipropyl ether 549.05
    1,2-dichlorobenzene 249.03
    ethyl lactate 134.67
    propylene carbonate 231.32
    n-methylformamide 129.63
    2-pentanol 319.62
    n-pentane 180.49
    1-propoxy-2-propanol 576.73
    1-methoxy-2-propyl acetate 540.95
    2-(2-methoxypropoxy) propanol 336.38
    mesitylene 224.91
    ε-caprolactone 380.0
    p-cymene 204.98
    epichlorohydrin 508.69
    1,1,1-trichloroethane 457.79
    2-aminoethanol 119.09
    morpholine-4-carbaldehyde 341.08
    sulfolane 308.39
    2,2,4-trimethylpentane 96.09
    2-methyltetrahydrofuran 696.68
    n-hexyl acetate 431.64
    isooctane 106.07
    2-(2-butoxyethoxy)ethanol 441.37
    sec-butyl acetate 274.13
    tert-butyl acetate 465.37
    decalin 124.79
    glycerin 116.54
    diglyme 687.13
    acrylic acid 108.13
    isopropyl myristate 217.17
    n-butyric acid 232.55
    acetyl acetate 278.1
    di(2-ethylhexyl) phthalate 147.44
    ethyl propionate 291.47
    nitromethane 227.23
    1,2-diethoxyethane 534.13
    benzonitrile 232.08
    trioctyl phosphate 122.03
    1-bromopropane 407.95
    gamma-valerolactone 494.14
    n-decanol 192.91
    triethyl phosphate 166.84
    4-methyl-2-pentanol 257.4
    propionitrile 342.41
    vinylene carbonate 193.1
    1,1,2-trichlorotrifluoroethane 252.36
    DMS 301.13
    cumene 189.75
    2-octanol 178.19
    2-hexanone 344.46
    octyl acetate 246.12
    limonene 269.85
    1,2-dimethoxyethane 541.81
    ethyl orthosilicate 177.09
    tributyl phosphate 149.29
    diacetone alcohol 366.8
    N,N-dimethylaniline 259.1
    acrylonitrile 278.45
    aniline 263.24
    1,3-propanediol 180.67
    bromobenzene 324.14
    dibromomethane 381.88
    1,1,2,2-tetrachloroethane 464.55
    2-methyl-cyclohexyl acetate 289.98
    tetrabutyl urea 162.4
    diisobutyl methanol 250.84
    2-phenylethanol 331.75
    styrene 245.02
    dioctyl adipate 205.45
    dimethyl sulfate 152.35
    ethyl butyrate 334.22
    methyl lactate 158.5
    butyl lactate 192.16
    diethyl carbonate 223.35
    propanediol butyl ether 281.12
    triethyl orthoformate 272.87
    p-tert-butyltoluene 222.02
    methyl 4-tert-butylbenzoate 281.67
    morpholine 641.93
    tert-butylamine 339.62
    n-dodecanol 159.76
    dimethoxymethane 421.04
    ethylene carbonate 196.5
    cyrene 190.73
    2-ethoxyethyl acetate 369.98
    2-ethylhexyl acetate 392.5
    1,2,4-trichlorobenzene 280.4
    4-methylpyridine 396.57
    dibutyl ether 396.88
    2,6-dimethyl-4-heptanol 250.84
    DEF 318.85
    dimethyl isosorbide 462.02
    tetrachloroethylene 275.08
    eugenol 234.78
    triacetin 305.22
    span 80 273.29
    1,4-butanediol 87.68
    1,1-dichloroethane 458.53
    2-methyl-1-pentanol 222.98
    methyl formate 112.5
    2-methyl-1-butanol 285.02
    n-decane 102.25
    butyronitrile 350.34
    3,7-dimethyl-1-octanol 287.71
    1-chlorooctane 233.34
    1-chlorotetradecane 117.39
    n-nonane 105.16
    undecane 80.54
    tert-butylcyclohexane 128.15
    cyclooctane 126.02
    cyclopentanol 259.49
    tetrahydropyran 760.36
    tert-amyl methyl ether 438.77
    2,5,8-trioxanonane 433.97
    1-hexene 339.69
    2-isopropoxyethanol 268.53
    2,2,2-trifluoroethanol 58.99
    methyl butyrate 287.66

    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