alpha-PHELLANDRENE, (-)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    4221-98-1

    Molecular formula
    C10H16

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1005.0
    • Carbowax: 1170.0

  • Odor profile

    Woody 75.53%
    Herbal 75.26%
    Spicy 71.81%
    Citrus 67.47%
    Fresh 59.87%
    Terpenic 59.62%
    Green 55.71%
    Lemon 46.17%
    Mint 43.05%
    Pine 41.16%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Melting point expt.

    • 249.00 °C. @ 760.00 mm Hg

    Flash point est.
    56.65 ˚C

    Solubility expt.

    • 5000 mg/L @ 25 °C (exp)

  • Synonyms

    • 4221-98-1
    • (R)-(-)-alpha-Phellandrene
    • (-)-p-Mentha-1,5-diene
    • (-)-alpha-phellandrene
    • (R)-alpha-Phellandrene
    • alpha-Phellandrene l-form
    • CHEBI:301
    • (4R)-p-mentha-1(6),2-diene
    • (R)-5-Isopropyl-2-methylcyclohexa-1,3-diene
    • (R)-(-)-|A-Phellandrene
    • l-alpha-phellandrene
    • (4R)-p-mentha-1,5-diene
    • UNII-56UV8X65K0
    • (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
    • alpha-PHELLANDRENE, (-)-
    • (R)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
    • 56UV8X65K0
    • (R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene
    • EINECS 224-167-6
    • (5R)-5-isopropyl-2-methylcyclohexa-1,3-diene
    • MFCD00062988
    • p-Mentha-1,5-diene, (R)-(-)-
    • (5R)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
    • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
    • DTXSID3047053
    • (5R)-2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
    • (R)-a-Phellandrene (Technical Grade)
    • P-MENTHA-1,5-DIENE, (-)-
    • 1-phellandrene
    • (-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene
    • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (theta)-
    • (-)-|A-phellandrene
    • (-)-(R)-.alpha.-Phellandrene
    • (5R)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene; (R)-(-)-p-Metha-1,5-diene
    • (-)-?-Phellandrene
    • (R)-+/--Phellandrene
    • Epitope ID:123896
    • (-)-(r)-alpha-phellandrene
    • L-.ALPHA.-PHELLANDRENE
    • CHEMBL455041
    • DTXCID1027053
    • (R)-(-)- alpha -Phellandrene
    • (-)-.ALPHA.-PHELLANDRENE
    • .ALPHA.-PHELLANDRENE L-FORM
    • EAA22198
    • HY-N9487
    • p-mentha-1,5-diene,(R)-(-)-
    • Tox21_302301
    • .ALPHA.-PHELLANDRENE, (-)-
    • AKOS040759354
    • FS-7315
    • LMPR0102090021
    • NCGC00256155-01
    • .ALPHA.-PHELLANDRENE L-FORM [MI]
    • CAS-4221-98-1
    • CS-0181878
    • NS00083798
    • C09875
    • D91275
    • Q25933788
    • (R)-(-)-alpha-Phellandrene, >=95.0% (sum of enantiomers, GC)
    • 224-167-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.84
    methanol 58.59
    isopropanol 150.43
    water 0.03
    ethyl acetate 356.25
    n-propanol 153.94
    acetone 196.29
    n-butanol 212.16
    acetonitrile 163.95
    DMF 91.41
    toluene 443.34
    isobutanol 113.82
    1,4-dioxane 639.28
    methyl acetate 198.71
    THF 1032.13
    2-butanone 283.65
    n-pentanol 139.32
    sec-butanol 162.04
    n-hexane 253.5
    ethylene glycol 6.81
    NMP 127.74
    cyclohexane 398.99
    DMSO 115.57
    n-butyl acetate 782.7
    n-octanol 174.11
    chloroform 688.28
    n-propyl acetate 197.79
    acetic acid 64.89
    dichloromethane 586.51
    cyclohexanone 398.26
    propylene glycol 20.88
    isopropyl acetate 245.51
    DMAc 117.31
    2-ethoxyethanol 99.34
    isopentanol 184.22
    n-heptane 508.51
    ethyl formate 115.05
    1,2-dichloroethane 343.51
    n-hexanol 497.23
    2-methoxyethanol 130.78
    isobutyl acetate 154.04
    tetrachloromethane 174.38
    n-pentyl acetate 226.93
    transcutol 662.02
    n-heptanol 158.93
    ethylbenzene 196.26
    MIBK 207.46
    2-propoxyethanol 323.07
    tert-butanol 210.6
    MTBE 413.08
    2-butoxyethanol 158.0
    propionic acid 67.27
    o-xylene 199.56
    formic acid 6.93
    diethyl ether 620.94
    m-xylene 253.36
    p-xylene 214.79
    chlorobenzene 289.98
    dimethyl carbonate 43.05
    n-octane 109.22
    formamide 13.76
    cyclopentanone 344.17
    2-pentanone 295.42
    anisole 238.38
    cyclopentyl methyl ether 478.43
    gamma-butyrolactone 242.37
    1-methoxy-2-propanol 147.66
    pyridine 505.91
    3-pentanone 223.55
    furfural 180.03
    n-dodecane 61.61
    diethylene glycol 88.31
    diisopropyl ether 224.73
    tert-amyl alcohol 190.64
    acetylacetone 213.73
    n-hexadecane 71.24
    acetophenone 157.13
    methyl propionate 168.6
    isopentyl acetate 532.35
    trichloroethylene 486.65
    n-nonanol 166.79
    cyclohexanol 224.04
    benzyl alcohol 100.76
    2-ethylhexanol 407.6
    isooctanol 127.42
    dipropyl ether 876.26
    1,2-dichlorobenzene 211.29
    ethyl lactate 48.83
    propylene carbonate 180.21
    n-methylformamide 34.89
    2-pentanol 178.62
    n-pentane 224.92
    1-propoxy-2-propanol 347.29
    1-methoxy-2-propyl acetate 368.77
    2-(2-methoxypropoxy) propanol 197.56
    mesitylene 160.18
    ε-caprolactone 323.2
    p-cymene 229.44
    epichlorohydrin 362.32
    1,1,1-trichloroethane 407.19
    2-aminoethanol 24.6
    morpholine-4-carbaldehyde 188.42
    sulfolane 187.55
    2,2,4-trimethylpentane 71.61
    2-methyltetrahydrofuran 801.71
    n-hexyl acetate 327.6
    isooctane 75.34
    2-(2-butoxyethoxy)ethanol 257.02
    sec-butyl acetate 167.91
    tert-butyl acetate 257.3
    decalin 122.7
    glycerin 22.78
    diglyme 448.88
    acrylic acid 37.64
    isopropyl myristate 164.21
    n-butyric acid 187.44
    acetyl acetate 175.6
    di(2-ethylhexyl) phthalate 114.33
    ethyl propionate 176.66
    nitromethane 89.37
    1,2-diethoxyethane 643.13
    benzonitrile 187.98
    trioctyl phosphate 80.49
    1-bromopropane 548.74
    gamma-valerolactone 308.36
    n-decanol 132.73
    triethyl phosphate 126.89
    4-methyl-2-pentanol 119.41
    propionitrile 190.48
    vinylene carbonate 129.66
    1,1,2-trichlorotrifluoroethane 113.02
    DMS 135.36
    cumene 126.45
    2-octanol 114.65
    2-hexanone 242.0
    octyl acetate 190.99
    limonene 396.89
    1,2-dimethoxyethane 328.0
    ethyl orthosilicate 148.29
    tributyl phosphate 102.53
    diacetone alcohol 160.04
    N,N-dimethylaniline 153.24
    acrylonitrile 121.93
    aniline 211.77
    1,3-propanediol 58.07
    bromobenzene 383.37
    dibromomethane 556.81
    1,1,2,2-tetrachloroethane 371.92
    2-methyl-cyclohexyl acetate 273.02
    tetrabutyl urea 131.53
    diisobutyl methanol 218.57
    2-phenylethanol 221.33
    styrene 230.36
    dioctyl adipate 178.43
    dimethyl sulfate 45.61
    ethyl butyrate 464.86
    methyl lactate 39.87
    butyl lactate 102.37
    diethyl carbonate 220.7
    propanediol butyl ether 99.3
    triethyl orthoformate 288.47
    p-tert-butyltoluene 225.29
    methyl 4-tert-butylbenzoate 169.98
    morpholine 609.89
    tert-butylamine 208.7
    n-dodecanol 109.85
    dimethoxymethane 170.34
    ethylene carbonate 129.5
    cyrene 97.4
    2-ethoxyethyl acetate 255.9
    2-ethylhexyl acetate 517.71
    1,2,4-trichlorobenzene 232.53
    4-methylpyridine 439.97
    dibutyl ether 469.09
    2,6-dimethyl-4-heptanol 218.57
    DEF 214.77
    dimethyl isosorbide 348.16
    tetrachloroethylene 234.33
    eugenol 120.82
    triacetin 181.91
    span 80 194.33
    1,4-butanediol 18.86
    1,1-dichloroethane 381.58
    2-methyl-1-pentanol 143.63
    methyl formate 27.24
    2-methyl-1-butanol 158.75
    n-decane 111.61
    butyronitrile 296.2
    3,7-dimethyl-1-octanol 196.97
    1-chlorooctane 239.74
    1-chlorotetradecane 97.54
    n-nonane 122.79
    undecane 78.58
    tert-butylcyclohexane 106.85
    cyclooctane 185.62
    cyclopentanol 159.83
    tetrahydropyran 984.36
    tert-amyl methyl ether 289.69
    2,5,8-trioxanonane 326.56
    1-hexene 468.74
    2-isopropoxyethanol 94.47
    2,2,2-trifluoroethanol 13.39
    methyl butyrate 200.13

    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
Tea Tree (Australia) 9 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.01%