beta-Terpinene

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  • Identifiers

    CAS number
    99-84-3

    Molecular formula
    C10H16

    SMILES
    CC(C)C1=CCC(=C)CC1

  • Odor profile

    Herbal 76.09%
    Woody 70.04%
    Spicy 66.45%
    Citrus 63.64%
    Terpenic 59.13%
    Fresh 54.54%
    Mint 47.32%
    Pine 44.71%
    Camphoreous 44.03%
    Lemon 40.85%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    177°C

    Flash point est.
    53.01 ˚C

  • Synonyms

    • beta-Terpinene
    • p-Mentha-1(7),3-diene
    • b-terpinene
    • 99-84-3
    • Cyclohexene, 4-methylene-1-(1-methylethyl)-
    • .beta.-Terpinen
    • .beta.-Terpinene
    • DV74J5RW4Y
    • CHEBI:59159
    • 4-methylene-1-(1-methylethyl)cyclohexene
    • UNII-DV74J5RW4Y
    • Beta terpinene
    • beta -terpinene
    • EINECS 202-793-0
    • 1-isopropyl-4-methylenecyclohex-1-ene
    • 4-methylidene-1-propan-2-ylcyclohexene
    • menthadiene-1(7),3
    • Epitope ID:123899
    • DTXSID60243931
    • 1-Isopropyl-4-methylenecyclohexene
    • 1-Isopropyl-4-methylene-1-cyclohexene
    • 1-Isopropyl-4-methylene-1-cyclohexene #
    • 4-methylidene-1-(propan-2-yl)cyclohexene
    • 4-methylene-1-(1-methylethenyl)cyclohexane
    • 4-Methylene-1-(1-methylethyl)-Cyclohexene
    • NS00041510
    • 4-methylidene-1-(propan-2-yl)cyclohex-1-ene
    • Q23057921

  • Applications

    Beta-Terpinene (CAS 99-84-3) is a citrus–herbal monoterpene hydrocarbon widely used as a fragrance ingredient in perfumes, deodorizers, household cleaners, candles/reed diffusers, and personal care to deliver fresh top notes, and as a low-dose flavoring for citrus, spicy, and minty profiles; in the aroma-chemicals and specialty chemicals sectors it serves as a building block for conversion to p‑cymene, terpinen‑4‑ol, terpineol, and other oxidized/epoxidized derivatives for flavor–fragrance and bioactive synthesis, and as a biobased diluent/carrier solvent for inks, coatings, and light industrial cleaners; in agriculture and pest management it is blended into plant-oil formulations as a synergist/odor modulator with repellent and deodorizing roles, and in research it is used as a GC/MS reference standard, a probe for monoterpene oxidation/polymerization mechanisms, and a model for assessing in-vitro antioxidant/antimicrobial activity; the material is volatile and highly flammable and can auto-oxidize to peroxides, so store tightly sealed in amber containers at cool temperatures away from light/heat and oxygen, and comply with local flavor–fragrance and food regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 579.34
    methanol 216.99
    isopropanol 461.1
    water 0.04
    ethyl acetate 1012.68
    n-propanol 503.48
    acetone 514.6
    n-butanol 611.43
    acetonitrile 476.03
    DMF 245.64
    toluene 907.77
    isobutanol 320.11
    1,4-dioxane 1803.51
    methyl acetate 514.36
    THF 2705.86
    2-butanone 669.61
    n-pentanol 363.01
    sec-butanol 449.25
    n-hexane 405.17
    ethylene glycol 15.98
    NMP 266.85
    cyclohexane 708.37
    DMSO 272.74
    n-butyl acetate 1903.1
    n-octanol 342.83
    chloroform 1562.73
    n-propyl acetate 465.59
    acetic acid 170.97
    dichloromethane 1450.93
    cyclohexanone 900.88
    propylene glycol 51.32
    isopropyl acetate 657.88
    DMAc 258.18
    2-ethoxyethanol 265.67
    isopentanol 483.49
    n-heptane 904.64
    ethyl formate 331.5
    1,2-dichloroethane 820.18
    n-hexanol 1192.0
    2-methoxyethanol 413.49
    isobutyl acetate 318.17
    tetrachloromethane 358.05
    n-pentyl acetate 513.03
    transcutol 1661.07
    n-heptanol 333.58
    ethylbenzene 335.72
    MIBK 468.62
    2-propoxyethanol 866.01
    tert-butanol 622.31
    MTBE 1117.7
    2-butoxyethanol 350.22
    propionic acid 172.85
    o-xylene 352.52
    formic acid 19.92
    diethyl ether 1754.0
    m-xylene 487.22
    p-xylene 356.63
    chlorobenzene 586.05
    dimethyl carbonate 102.11
    n-octane 175.0
    formamide 41.53
    cyclopentanone 775.83
    2-pentanone 758.23
    anisole 465.61
    cyclopentyl methyl ether 1148.74
    gamma-butyrolactone 610.51
    1-methoxy-2-propanol 416.02
    pyridine 1176.2
    3-pentanone 508.44
    furfural 405.64
    n-dodecane 87.29
    diethylene glycol 211.18
    diisopropyl ether 540.61
    tert-amyl alcohol 484.98
    acetylacetone 510.51
    n-hexadecane 102.54
    acetophenone 278.7
    methyl propionate 431.32
    isopentyl acetate 1208.2
    trichloroethylene 1077.35
    n-nonanol 331.51
    cyclohexanol 526.8
    benzyl alcohol 195.62
    2-ethylhexanol 864.77
    isooctanol 252.6
    dipropyl ether 2109.47
    1,2-dichlorobenzene 406.31
    ethyl lactate 93.64
    propylene carbonate 409.75
    n-methylformamide 110.06
    2-pentanol 461.8
    n-pentane 422.08
    1-propoxy-2-propanol 847.22
    1-methoxy-2-propyl acetate 896.86
    2-(2-methoxypropoxy) propanol 363.43
    mesitylene 281.82
    ε-caprolactone 710.42
    p-cymene 390.6
    epichlorohydrin 902.16
    1,1,1-trichloroethane 862.48
    2-aminoethanol 72.83
    morpholine-4-carbaldehyde 453.65
    sulfolane 369.13
    2,2,4-trimethylpentane 117.31
    2-methyltetrahydrofuran 2096.15
    n-hexyl acetate 690.68
    isooctane 135.53
    2-(2-butoxyethoxy)ethanol 541.19
    sec-butyl acetate 361.77
    tert-butyl acetate 635.18
    decalin 185.64
    glycerin 50.96
    diglyme 981.36
    acrylic acid 86.05
    isopropyl myristate 292.78
    n-butyric acid 549.13
    acetyl acetate 422.84
    di(2-ethylhexyl) phthalate 189.83
    ethyl propionate 401.97
    nitromethane 247.18
    1,2-diethoxyethane 1783.61
    benzonitrile 396.27
    trioctyl phosphate 139.45
    1-bromopropane 1161.58
    gamma-valerolactone 743.34
    n-decanol 247.72
    triethyl phosphate 218.06
    4-methyl-2-pentanol 279.24
    propionitrile 523.97
    vinylene carbonate 302.68
    1,1,2-trichlorotrifluoroethane 237.89
    DMS 263.47
    cumene 191.18
    2-octanol 221.88
    2-hexanone 515.18
    octyl acetate 348.52
    limonene 705.23
    1,2-dimethoxyethane 846.29
    ethyl orthosilicate 258.76
    tributyl phosphate 187.41
    diacetone alcohol 366.99
    N,N-dimethylaniline 256.28
    acrylonitrile 331.99
    aniline 493.17
    1,3-propanediol 185.77
    bromobenzene 739.2
    dibromomethane 1248.06
    1,1,2,2-tetrachloroethane 796.09
    2-methyl-cyclohexyl acetate 497.91
    tetrabutyl urea 233.61
    diisobutyl methanol 438.61
    2-phenylethanol 449.5
    styrene 404.68
    dioctyl adipate 307.87
    dimethyl sulfate 89.12
    ethyl butyrate 1028.6
    methyl lactate 87.56
    butyl lactate 201.34
    diethyl carbonate 462.32
    propanediol butyl ether 199.75
    triethyl orthoformate 592.4
    p-tert-butyltoluene 383.61
    methyl 4-tert-butylbenzoate 279.74
    morpholine 1802.86
    tert-butylamine 589.57
    n-dodecanol 192.68
    dimethoxymethane 496.77
    ethylene carbonate 308.7
    cyrene 168.27
    2-ethoxyethyl acetate 561.56
    2-ethylhexyl acetate 1113.22
    1,2,4-trichlorobenzene 409.48
    4-methylpyridine 1015.65
    dibutyl ether 1008.99
    2,6-dimethyl-4-heptanol 438.61
    DEF 550.37
    dimethyl isosorbide 659.92
    tetrachloroethylene 511.75
    eugenol 208.25
    triacetin 328.45
    span 80 362.67
    1,4-butanediol 46.01
    1,1-dichloroethane 920.96
    2-methyl-1-pentanol 331.56
    methyl formate 81.49
    2-methyl-1-butanol 406.59
    n-decane 174.2
    butyronitrile 817.1
    3,7-dimethyl-1-octanol 397.52
    1-chlorooctane 417.18
    1-chlorotetradecane 150.31
    n-nonane 192.4
    undecane 116.05
    tert-butylcyclohexane 163.07
    cyclooctane 286.93
    cyclopentanol 396.05
    tetrahydropyran 2587.8
    tert-amyl methyl ether 661.22
    2,5,8-trioxanonane 635.57
    1-hexene 891.39
    2-isopropoxyethanol 218.53
    2,2,2-trifluoroethanol 30.75
    methyl butyrate 464.43

    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
Valerian, root 8008-88-6 Valeriana officinalis L., fam. Valerianaceae 0.2%
Vitex trifolia (Thailand) Vitex trifolia L., fam. Verbenaceae 0.73%
Vitex trifolia var. simplicifolia (Thailand) Vitex trifolia L. var. simplicifolia Cham., fam. Verbenaceae 1.13%
Vitex trifolia var. bicolor (Thailand) Vitex trifolia L. var. bicolor Moldenke (Willd.), fam. Verbenaceae 0.1%
Oregano, spanish (Italy) 4 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.01%
Orange, sweet (China) 3 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.31%
Eucalyptus globulus (China) 2 fruit 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.32%
Litsea pungens (China) Litsea pungens Hemsl., fam. Lauraceae 0.21%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Myrtle leaf (Yugoslavia) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.25%
Cinnamomum parthenoxylum (China) 1g Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.3%
Zanthoxylum rhetsoides (China) Zanthoxylum rhetsoides Drake, fam. Rutaceae 29.47%
Gourd, ridge (Columbia) flower headspace 90063-68-6 Luffa acutangula, fam. Cucurbitaceae 0.05%