(-)-beta-Phellandrene

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  • Identifiers

    CAS number
    6153-17-9

    Molecular formula
    C10H16

    SMILES
    CC(C)[C@H]1CCC(=C)C=C1

    Retention indicies (RI)

    • DB5: 1032.0
    • Carbowax: 1210.0

  • Odor profile

    Fragrance
    Herbal 74.94%
    Spicy 69.64%
    Woody 64.76%
    Citrus 63.18%
    Fresh 55.06%
    Terpenic 54.41%
    Mint 52.58%
    Green 39.85%
    Camphoreous 39.04%
    Pine 38.76%

     

    Flavor
    Woody 64.4%
    Herbal 57.33%
    Spice 56.54%
    Wood 45.14%
    Herb 36.54%
    Terpene 34.65%
    Mint 34.04%
    Citrus 30.33%
    Turpentine 29.71%
    Terpentine 26.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.5 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    172°C

    Flash point

    • 55.47 ˚C est.

  • Synonyms

    • (-)-beta-Phellandrene
    • 6153-17-9
    • beta-Phellandrene l-form
    • UNII-V8A8NZ60JW
    • V8A8NZ60JW
    • Cyclohexene, 3-methylene-6-(1-methylethyl)-, (-)-
    • (-)-p-mentha-1(7),2-diene
    • (4R)-p-mentha-1(7),2-diene
    • (6R)-3-methylidene-6-(propan-2-yl)cyclohex-1-ene
    • (R)-3-isopropyl-6-methylenecyclohexene
    • (3R)-3-isopropyl-6-methylenecyclohexene
    • L-beta-Phellandrene
    • .delta.-phellandrene
    • p-Mentha-1(7),2-diene, (-)-
    • (4S)-beta-phellandrene
    • (6R)-3-methylidene-6-propan-2-ylcyclohexene
    • (-)-I(2)-Phellandrene
    • CHEBI:129
    • L-.BETA.-PHELLANDRENE
    • LFJQCDVYDGGFCH-SNVBAGLBSA-N
    • (-)-.BETA.-PHELLANDRENE
    • DTXSID201316042
    • .BETA.-PHELLANDRENE L-FORM
    • .BETA.-PHELLANDRENE, (-)-
    • .BETA.-PHELLANDRENE L-FORM [MI]
    • (-)-3-methylene-6-(1-methylethyl)cyclohexene
    • Q27105254
    • CYCLOHEXENE, 3-METHYLENE-6-(1-METHYLETHYL)-, (6R)-

  • Applications

    (-)-beta-Phellandrene (CAS 6153-17-9) is used as an aroma component in perfumery and in flavor formulations, delivering green, citrusy notes in fragrances and taste systems; it is also commonly employed as a fragrance ingredient in cosmetics and personal care products, and as a scent additive in household cleaners and air fresheners. In industrial manufacturing, it can act as an intermediate in fragrance chemistry, enabling synthesis of other monoterpene aroma compounds. It may also be used in coatings or inks as a fragrance additive, with formulation limits and local regulations influencing its use.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 561.04
    methanol 199.34
    isopropanol 471.63
    water 0.03
    ethyl acetate 956.37
    n-propanol 491.13
    acetone 517.96
    n-butanol 613.36
    acetonitrile 414.7
    DMF 232.33
    toluene 824.78
    isobutanol 325.8
    1,4-dioxane 1582.9
    methyl acetate 483.21
    THF 2628.18
    2-butanone 651.75
    n-pentanol 355.33
    sec-butanol 446.88
    n-hexane 395.96
    ethylene glycol 15.04
    NMP 228.43
    cyclohexane 663.29
    DMSO 270.93
    n-butyl acetate 1874.93
    n-octanol 317.82
    chloroform 1380.55
    n-propyl acetate 445.9
    acetic acid 161.31
    dichloromethane 1297.02
    cyclohexanone 837.39
    propylene glycol 49.47
    isopropyl acetate 621.46
    DMAc 225.34
    2-ethoxyethanol 249.82
    isopentanol 492.52
    n-heptane 813.58
    ethyl formate 304.68
    1,2-dichloroethane 755.59
    n-hexanol 1194.55
    2-methoxyethanol 403.19
    isobutyl acetate 300.04
    tetrachloromethane 304.43
    n-pentyl acetate 463.87
    transcutol 1562.44
    n-heptanol 315.09
    ethylbenzene 298.07
    MIBK 467.85
    2-propoxyethanol 844.63
    tert-butanol 611.47
    MTBE 1093.12
    2-butoxyethanol 331.47
    propionic acid 160.99
    o-xylene 309.6
    formic acid 17.92
    diethyl ether 1676.67
    m-xylene 455.25
    p-xylene 311.85
    chlorobenzene 531.86
    dimethyl carbonate 91.32
    n-octane 155.36
    formamide 36.07
    cyclopentanone 747.94
    2-pentanone 755.43
    anisole 408.31
    cyclopentyl methyl ether 1076.38
    gamma-butyrolactone 560.88
    1-methoxy-2-propanol 415.26
    pyridine 1078.13
    3-pentanone 474.71
    furfural 359.88
    n-dodecane 82.05
    diethylene glycol 205.31
    diisopropyl ether 528.16
    tert-amyl alcohol 465.58
    acetylacetone 498.78
    n-hexadecane 95.38
    acetophenone 246.76
    methyl propionate 396.98
    isopentyl acetate 1161.33
    trichloroethylene 987.27
    n-nonanol 299.5
    cyclohexanol 511.15
    benzyl alcohol 179.75
    2-ethylhexanol 828.93
    isooctanol 232.08
    dipropyl ether 1903.26
    1,2-dichlorobenzene 346.02
    ethyl lactate 87.24
    propylene carbonate 377.31
    n-methylformamide 98.86
    2-pentanol 467.36
    n-pentane 415.95
    1-propoxy-2-propanol 837.68
    1-methoxy-2-propyl acetate 854.42
    2-(2-methoxypropoxy) propanol 327.77
    mesitylene 268.32
    ε-caprolactone 654.66
    p-cymene 348.12
    epichlorohydrin 847.64
    1,1,1-trichloroethane 771.91
    2-aminoethanol 66.6
    morpholine-4-carbaldehyde 396.0
    sulfolane 345.56
    2,2,4-trimethylpentane 113.33
    2-methyltetrahydrofuran 1948.78
    n-hexyl acetate 638.32
    isooctane 137.54
    2-(2-butoxyethoxy)ethanol 490.22
    sec-butyl acetate 336.76
    tert-butyl acetate 591.12
    decalin 172.37
    glycerin 48.96
    diglyme 868.56
    acrylic acid 77.84
    isopropyl myristate 257.27
    n-butyric acid 535.05
    acetyl acetate 383.01
    di(2-ethylhexyl) phthalate 170.84
    ethyl propionate 366.23
    nitromethane 223.86
    1,2-diethoxyethane 1671.58
    benzonitrile 340.87
    trioctyl phosphate 128.18
    1-bromopropane 1116.54
    gamma-valerolactone 692.98
    n-decanol 226.11
    triethyl phosphate 191.31
    4-methyl-2-pentanol 283.4
    propionitrile 459.84
    vinylene carbonate 261.97
    1,1,2-trichlorotrifluoroethane 216.28
    DMS 236.09
    cumene 170.03
    2-octanol 206.88
    2-hexanone 496.08
    octyl acetate 304.57
    limonene 653.37
    1,2-dimethoxyethane 772.12
    ethyl orthosilicate 227.95
    tributyl phosphate 168.13
    diacetone alcohol 351.56
    N,N-dimethylaniline 220.91
    acrylonitrile 293.07
    aniline 446.75
    1,3-propanediol 182.6
    bromobenzene 666.38
    dibromomethane 1139.81
    1,1,2,2-tetrachloroethane 700.45
    2-methyl-cyclohexyl acetate 437.8
    tetrabutyl urea 209.32
    diisobutyl methanol 425.16
    2-phenylethanol 423.26
    styrene 366.25
    dioctyl adipate 268.49
    dimethyl sulfate 79.63
    ethyl butyrate 951.48
    methyl lactate 81.58
    butyl lactate 189.71
    diethyl carbonate 418.5
    propanediol butyl ether 195.75
    triethyl orthoformate 527.57
    p-tert-butyltoluene 347.93
    methyl 4-tert-butylbenzoate 244.68
    morpholine 1647.01
    tert-butylamine 567.06
    n-dodecanol 180.08
    dimethoxymethane 464.35
    ethylene carbonate 274.78
    cyrene 150.08
    2-ethoxyethyl acetate 521.26
    2-ethylhexyl acetate 1050.37
    1,2,4-trichlorobenzene 351.94
    4-methylpyridine 927.92
    dibutyl ether 906.95
    2,6-dimethyl-4-heptanol 425.16
    DEF 512.85
    dimethyl isosorbide 592.02
    tetrachloroethylene 448.52
    eugenol 182.7
    triacetin 298.78
    span 80 331.51
    1,4-butanediol 44.96
    1,1-dichloroethane 851.75
    2-methyl-1-pentanol 324.0
    methyl formate 72.86
    2-methyl-1-butanol 396.2
    n-decane 156.65
    butyronitrile 770.66
    3,7-dimethyl-1-octanol 371.22
    1-chlorooctane 373.76
    1-chlorotetradecane 136.41
    n-nonane 174.16
    undecane 108.28
    tert-butylcyclohexane 149.78
    cyclooctane 268.55
    cyclopentanol 377.4
    tetrahydropyran 2408.21
    tert-amyl methyl ether 637.42
    2,5,8-trioxanonane 554.22
    1-hexene 844.59
    2-isopropoxyethanol 205.96
    2,2,2-trifluoroethanol 26.6
    methyl butyrate 440.95

    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
Abies sachalinensis (Finland) Abies sachalinensis (Fr. Schm.) Mast, fam. Pinaceae 7.5%
Tea Tree (Australia) 9 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.22%