beta-Cedrene

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  • Identifiers

    CAS number
    546-28-1

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1450.0
    • Carbowax: 1644.75

  • Odor profile

    Woody 86.54%
    Sweet 57.04%
    Dry 50.16%
    Amber 44.24%
    Cedar 41.42%
    Spicy 38.27%
    Camphoreous 37.24%
    Fresh 36.88%
    Pine 34.97%
    Green 33.23%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.37 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    104.73 ˚C

  • Synonyms

    • beta-Cedrene
    • 546-28-1
    • (+)-beta-Cedrene
    • .beta.-Cedrene
    • (+)-.beta.-Cedrene
    • 6QL7ERD5Q1
    • 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-
    • EINECS 208-898-8
    • UNII-6QL7ERD5Q1
    • (1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
    • DTXSID40883435
    • (+)-beta-Funebrene
    • Cedr-8(15)-ene
    • 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3alpha,3abeta,7beta,8aalpha))-
    • 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-
    • (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
    • (3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
    • [3R-(3alpha,3abeta,7beta,8aalpha)]-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
    • 1H-3A,7-METHANOAZULENE, OCTAHYDRO-3,8,8-TRIMETHYL-6-METHYLENE-, (3R-(3.ALPHA.,3A.BETA.,7.BETA.,8A.ALPHA.))-
    • (+)-ss-Cedrene
    • (+)-beta-Cedrene (major, contains (-)-cedrene)
    • (+)-?-CEDRENE
    • b-Cedrene
    • (1S,2R,5S,7R)-2,6,6-trimethyl-8-methylidenetricyclo(5.3.1.01,5)undecane
    • (1S,2R,5S,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
    • (1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo(5.3.1.01,5)undecane
    • (+)-ss-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; (+)-ss-Funebrene; (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane
    • (+)- beta -Cedrene
    • CHEBI:232853
    • DTXCID801022966
    • HY-N11706
    • AKOS015896901
    • FS-7321
    • 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)-
    • CS-0783420
    • G78149
    • (+)-beta-Cedrene, >=95.0% (sum of enantiomers, GC)
    • [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene

  • Applications

    beta-Cedrene (CAS 546-28-1) is a sesquiterpene hydrocarbon with a warm, dry, slightly sweet cedarwood odor used widely as a fragrance ingredient in fine fragrances, cosmetics, soaps, detergents, and air-care products; with medium volatility and good substantivity it imparts woody depth, a light fixative effect, and blends well with vetiver, patchouli, sandalwood, ambers, and resins; in food flavoring it may be applied at trace levels to add woody/smoky nuances to beverages, confectionery, and baked goods (subject to local regulations); in household pest management and protection of wood/textiles, the cedary note contributes to repellency against moths, beetles, and mosquitoes when formulated with cedarwood oil; in R&D it serves as a chemical marker for cedarwood oils, an odorant standard for olfactory studies, and a starting material for sesquiterpene synthesis/modification (e.g., oxidation to cedrenone or alcohol derivatives), and is monitored as a characteristic VOC from wood emissions; for formulation, beta-cedrene is hydrophobic, soluble in ethanol/DPG/carrier oils and compatible with many polymers and waxes (candles, laundry, personal care), but can oxidize over time, so antioxidants and closed, light/heat-protected storage are recommended, alongside compliance with IFRA and general chemical safety guidance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.27
    methanol 210.36
    isopropanol 325.71
    water 1.09
    ethyl acetate 639.0
    n-propanol 304.82
    acetone 632.98
    n-butanol 346.72
    acetonitrile 535.02
    DMF 602.98
    toluene 944.33
    isobutanol 258.45
    1,4-dioxane 1229.35
    methyl acetate 488.86
    THF 2633.88
    2-butanone 513.26
    n-pentanol 134.81
    sec-butanol 194.08
    n-hexane 77.62
    ethylene glycol 33.36
    NMP 479.82
    cyclohexane 263.47
    DMSO 259.63
    n-butyl acetate 763.35
    n-octanol 183.76
    chloroform 1229.04
    n-propyl acetate 311.65
    acetic acid 152.86
    dichloromethane 1126.28
    cyclohexanone 988.56
    propylene glycol 52.99
    isopropyl acetate 578.67
    DMAc 356.32
    2-ethoxyethanol 176.0
    isopentanol 311.02
    n-heptane 158.53
    ethyl formate 354.94
    1,2-dichloroethane 668.99
    n-hexanol 398.44
    2-methoxyethanol 374.79
    isobutyl acetate 288.09
    tetrachloromethane 340.75
    n-pentyl acetate 363.61
    transcutol 666.82
    n-heptanol 211.89
    ethylbenzene 304.17
    MIBK 505.86
    2-propoxyethanol 554.73
    tert-butanol 367.48
    MTBE 539.21
    2-butoxyethanol 290.66
    propionic acid 177.57
    o-xylene 430.02
    formic acid 40.95
    diethyl ether 627.71
    m-xylene 647.33
    p-xylene 383.09
    chlorobenzene 710.06
    dimethyl carbonate 273.0
    n-octane 54.57
    formamide 92.98
    cyclopentanone 1275.58
    2-pentanone 580.32
    anisole 452.98
    cyclopentyl methyl ether 980.92
    gamma-butyrolactone 1145.5
    1-methoxy-2-propanol 382.93
    pyridine 1007.61
    3-pentanone 420.34
    furfural 699.8
    n-dodecane 38.19
    diethylene glycol 252.56
    diisopropyl ether 324.7
    tert-amyl alcohol 199.36
    acetylacetone 719.06
    n-hexadecane 46.06
    acetophenone 342.71
    methyl propionate 446.26
    isopentyl acetate 691.43
    trichloroethylene 1063.51
    n-nonanol 174.13
    cyclohexanol 379.4
    benzyl alcohol 247.93
    2-ethylhexanol 282.91
    isooctanol 180.36
    dipropyl ether 589.47
    1,2-dichlorobenzene 563.42
    ethyl lactate 125.52
    propylene carbonate 588.42
    n-methylformamide 296.94
    2-pentanol 238.94
    n-pentane 123.68
    1-propoxy-2-propanol 474.96
    1-methoxy-2-propyl acetate 689.36
    2-(2-methoxypropoxy) propanol 251.16
    mesitylene 431.08
    ε-caprolactone 752.04
    p-cymene 312.57
    epichlorohydrin 1043.12
    1,1,1-trichloroethane 761.12
    2-aminoethanol 85.73
    morpholine-4-carbaldehyde 637.51
    sulfolane 679.98
    2,2,4-trimethylpentane 58.15
    2-methyltetrahydrofuran 1173.43
    n-hexyl acetate 435.01
    isooctane 81.03
    2-(2-butoxyethoxy)ethanol 333.42
    sec-butyl acetate 267.07
    tert-butyl acetate 600.1
    decalin 99.16
    glycerin 78.77
    diglyme 689.55
    acrylic acid 137.2
    isopropyl myristate 216.19
    n-butyric acid 403.42
    acetyl acetate 454.21
    di(2-ethylhexyl) phthalate 168.27
    ethyl propionate 326.17
    nitromethane 378.25
    1,2-diethoxyethane 517.23
    benzonitrile 512.9
    trioctyl phosphate 138.26
    1-bromopropane 574.48
    gamma-valerolactone 1111.72
    n-decanol 128.89
    triethyl phosphate 199.0
    4-methyl-2-pentanol 205.16
    propionitrile 591.05
    vinylene carbonate 565.01
    1,1,2-trichlorotrifluoroethane 310.85
    DMS 380.47
    cumene 207.41
    2-octanol 139.28
    2-hexanone 292.87
    octyl acetate 228.28
    limonene 367.84
    1,2-dimethoxyethane 534.5
    ethyl orthosilicate 206.51
    tributyl phosphate 167.55
    diacetone alcohol 373.29
    N,N-dimethylaniline 285.87
    acrylonitrile 567.21
    aniline 544.79
    1,3-propanediol 201.87
    bromobenzene 883.91
    dibromomethane 811.04
    1,1,2,2-tetrachloroethane 686.04
    2-methyl-cyclohexyl acetate 349.5
    tetrabutyl urea 196.05
    diisobutyl methanol 226.96
    2-phenylethanol 415.93
    styrene 351.26
    dioctyl adipate 235.09
    dimethyl sulfate 265.32
    ethyl butyrate 491.98
    methyl lactate 161.96
    butyl lactate 218.96
    diethyl carbonate 297.32
    propanediol butyl ether 184.28
    triethyl orthoformate 340.9
    p-tert-butyltoluene 330.3
    methyl 4-tert-butylbenzoate 359.68
    morpholine 1008.84
    tert-butylamine 317.63
    n-dodecanol 101.5
    dimethoxymethane 798.33
    ethylene carbonate 535.99
    cyrene 221.07
    2-ethoxyethyl acetate 459.29
    2-ethylhexyl acetate 549.92
    1,2,4-trichlorobenzene 542.06
    4-methylpyridine 993.36
    dibutyl ether 335.16
    2,6-dimethyl-4-heptanol 226.96
    DEF 453.01
    dimethyl isosorbide 598.54
    tetrachloroethylene 510.46
    eugenol 272.72
    triacetin 316.04
    span 80 240.56
    1,4-butanediol 56.42
    1,1-dichloroethane 712.41
    2-methyl-1-pentanol 134.49
    methyl formate 275.84
    2-methyl-1-butanol 226.41
    n-decane 69.09
    butyronitrile 637.15
    3,7-dimethyl-1-octanol 205.92
    1-chlorooctane 192.88
    1-chlorotetradecane 83.56
    n-nonane 66.12
    undecane 49.82
    tert-butylcyclohexane 88.51
    cyclooctane 126.15
    cyclopentanol 406.17
    tetrahydropyran 1270.82
    tert-amyl methyl ether 313.36
    2,5,8-trioxanonane 422.68
    1-hexene 189.07
    2-isopropoxyethanol 158.64
    2,2,2-trifluoroethanol 90.89
    methyl butyrate 353.2

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.27 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3.1 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 3.1 %
Category 3
Products applied to the face/body using fingertips
 1.6 % Category 8
Products with significant anogenital exposure
 0.16 %
Category 4
Products related to fine fragrance
 1.5 % Category 9
Products with body and hand exposure, primarily rinse off
 2.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.38 % Category 10A
Household care products with mostly hand contact
 11 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.38 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 11 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.38 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 5.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.38 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 5.8 %
Category 6
Products with oral and lip exposure
 0.88 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cedarwood, Mulanje Widdringtonia whytei Rendle, fam. Cupressaceae 1.0%
Cedarwood Texas 1 Juniperus mexicana L., fam. Cupressaceae 4.9%
Cedarwood Texas 2 Juniperus mexicana L., fam. Cupressaceae 5.65%
Cedarwood Virginia 2 8000-27-9 Juniperus virginiana L., fam. Cupressaceae 6.6%
Cedarwood Virginia 3 8000-27-9 Juniperus virginiana L., fam. Cupressaceae 6.75%
Cypress 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.4%
Hemizygia welwitschii Hemizygia welwitschii (Rolfe) M.Ashby (Orthosiphon welwitschii) 4.71%
Hinoki root Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.68%
Hinoki wood Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.07%
Juniper branch 8012-91-7 Juniperus communis L., fam. Cupressaceae 1.0%
Populus deltoides Populus deltoides Bartr. (P. deltoides Marsh.), fam. Salicaceae 2.3%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 1.11%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.25%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.25%
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.2%
Dendrobium chrysatoxum flower (China) Dendrobium chrysatoxum Lindl., fam. Orchidaceae 0.17%
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.14%
Ylang Ylang 5b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonacaea 0.2%
Ylang Ylang 5c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.37%
Ylang Ylang 5d 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.46%
Nicotiana rustica flower Nicotiana rustica L, subgenus Rustica, var. brasilia, fam. Solanaceae 0.18%
Psiadia viscosa Psiadia viscosa (Lam.) A.J. Scott, fam. Asteraceae (Compositae) 3.0%
Cardamom, large (Nepalese) (India) 2 Amomum subulatum Roxb., fam. Zingiberaceae 0.08%
Coreopsis barteri leaf (Cameroon) Coreopsis barteri Oliv. & Hiern, fam. Asteraceae (Compositae) 0.4%
Annona squamosa leaf Annona squamosa L., fam. Annonaceae (sweetsop or custard apple) 23.3%
Cedarwood Virginia 4 8000-27-9 Juniperus virginiana L., fam. Cupressaceae 6.3%
Magnolia grandiflora flower (India) 93062-76-1 Magnolia grandiflora L., fam. Magnoliaceae 8.1%
Nutmeg (Jamaica) 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.05%
Marsypianthes chamaedrys (Brazil) Marsypianthes chamaedrys (Vahl) Kuntze, fam. Lamiaceae (Labiatae) 0.2%
Guava leaf 4 Psidium guajava L., fam. Myrtaceae 0.01%
Pepper, black (India) 4 8006-82-4 Piper nigrum L., fam. Piperaceae 0.5%
Prangos uloptera (Iran) aerial parts Prangos uloptera DC., fam. Apiaceae (Umbelliferae) 1.0%
Calamus (Canada) root 8015-79-0 Acorus calamus L., fam. Araceae 1.61%
Calamus (Turkey) Acorus calamus L., fam. Araceae 0.01%
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.02%
Cardamom, large (Nepalese) (India) 3 Amomum subulatum Roxb., fam. Zingiberaceae 0.1%