Myrtenal

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  • Identifiers

    CAS number
    564-94-3

    Molecular formula
    C10H14O

    SMILES
    CC1(C2CC=C(C1C2)C=O)C

    Retention indicies (RI)

    • DB5: 1200.43
    • Carbowax: 1631.29

  • Odor profile

    Herbal 83.34%
    Green 78.57%
    Woody 76.29%
    Sweet 72.93%
    Mint 69.52%
    Spicy 68.79%
    Camphoreous 60.65%
    Fresh 53.46%
    Cooling 52.4%
    Pine 51.43%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point est.
    83.78 ˚C

  • Synonyms

    • Myrtenal
    • 564-94-3
    • (1R)-(-)-Myrtenal
    • Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-
    • 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
    • D-myrtenal
    • (+)-Myrtenal
    • (1S)-Myrtenal
    • BICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXALDEHYDE, 6,6-DIMETHYL-
    • 2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene
    • 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-
    • EINECS 209-274-8
    • NSC 54384
    • (1S,5R)-(+)-6,6-Dimethyl-2-norpinene-2-carboxaldehyde
    • Myrtenal (Mixture of Enantiomers)
    • (1S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
    • (1R)-2-Pinen-10-al
    • 6,6-dimethylbicyclo(3.1.1)hept-2-ene-2-carbaldehyde
    • (1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
    • Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S)-
    • 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde; (+/-)-Myrtenal; 6,6-Dimethyl-2-norpinene-2-carboxaldehyde; Benihinal; Myrtenal; NSC 54384
    • (1r)-(-) myrtenal
    • BICYCLO[3.1.1]HEPT-2-ENE-2-CARBOXALDEHYDE,6,6-DIMETHYL-
    • bmse000534
    • (1R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-carboxaldehyde
    • SCHEMBL228374
    • FEMA 3395
    • DTXSID60865112
    • NSC54384
    • AKOS000120250
    • LMPR0102120023
    • 2-Norpinene-2-carboxaldehyde,6-dimethyl-
    • DA-65738
    • SY107034
    • DB-065494
    • HY-121401
    • CS-0081952
    • NS00122901
    • EN300-20224
    • 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl- (8CI)
    • Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde,6-dimethyl-
    • 6,6-Dimethyl-bicyclo [3.1.1]hept-2-ene-2-carbaldehyde
    • 6,6-Dimethyl-bicyclo[3,1,1]hept-2-ene-2-carboxaldehyde
    • 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde #
    • Bicyclo3.1.1hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-

  • Applications

    Myrtenal (CAS 564-94-3) is a monoterpene aldehyde with a pine–camphor odour, used in perfumery and home-care fragrances to build coniferous, citrus and mint facets, in food flavorings at trace levels where permitted, and, importantly, as a chiral pool–derived intermediate from α-pinene for asymmetric synthesis of terpene derivatives, potential pharmaceutical leads and agrochemical building blocks; in research, myrtenal and its oxime/Schiff-base derivatives are investigated for antioxidant, antimicrobial, anti-inflammatory and anticancer/cytotoxic activities and for insect repellent/attractant semiochemical roles in pest management; it also serves as a GC–MS analytical standard/marker to authenticate terpene-rich essential oils and to monitor fragrance batch quality, and as a substrate to demonstrate aldehyde chemistry (reduction to myrtenol, oxidation to acids, imine/oxime formation, aldol) in teaching and process development, with technological uses such as polymer tethering or microencapsulation for improved stability and controlled release, all subject to local safety and regulatory frameworks (e.g., IFRA and food regulations) and mindful of the aldehyde’s susceptibility to oxidation during storage.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.99
    methanol 155.03
    isopropanol 133.26
    water 3.26
    ethyl acetate 285.18
    n-propanol 145.6
    acetone 235.84
    n-butanol 125.98
    acetonitrile 225.61
    DMF 244.15
    toluene 157.84
    isobutanol 92.07
    1,4-dioxane 486.64
    methyl acetate 271.65
    THF 403.46
    2-butanone 213.12
    n-pentanol 61.25
    sec-butanol 81.46
    n-hexane 7.87
    ethylene glycol 55.99
    NMP 114.59
    cyclohexane 20.0
    DMSO 135.18
    n-butyl acetate 158.28
    n-octanol 52.65
    chloroform 569.27
    n-propyl acetate 109.2
    acetic acid 116.01
    dichloromethane 401.22
    cyclohexanone 219.06
    propylene glycol 52.0
    isopropyl acetate 161.77
    DMAc 155.73
    2-ethoxyethanol 137.37
    isopentanol 104.54
    n-heptane 10.96
    ethyl formate 153.62
    1,2-dichloroethane 278.66
    n-hexanol 128.16
    2-methoxyethanol 275.89
    isobutyl acetate 72.93
    tetrachloromethane 89.0
    n-pentyl acetate 84.88
    transcutol 597.79
    n-heptanol 62.51
    ethylbenzene 75.23
    MIBK 116.97
    2-propoxyethanol 270.45
    tert-butanol 133.76
    MTBE 125.49
    2-butoxyethanol 140.85
    propionic acid 123.51
    o-xylene 94.59
    formic acid 77.71
    diethyl ether 173.97
    m-xylene 119.25
    p-xylene 102.26
    chlorobenzene 193.25
    dimethyl carbonate 114.42
    n-octane 5.68
    formamide 133.77
    cyclopentanone 254.81
    2-pentanone 171.66
    anisole 151.97
    cyclopentyl methyl ether 154.74
    gamma-butyrolactone 297.45
    1-methoxy-2-propanol 216.94
    pyridine 307.59
    3-pentanone 135.37
    furfural 274.77
    n-dodecane 4.84
    diethylene glycol 209.27
    diisopropyl ether 61.04
    tert-amyl alcohol 80.4
    acetylacetone 217.29
    n-hexadecane 5.7
    acetophenone 118.1
    methyl propionate 207.5
    isopentyl acetate 133.49
    trichloroethylene 507.69
    n-nonanol 50.31
    cyclohexanol 89.76
    benzyl alcohol 99.74
    2-ethylhexanol 69.73
    isooctanol 51.96
    dipropyl ether 85.62
    1,2-dichlorobenzene 164.43
    ethyl lactate 67.06
    propylene carbonate 160.17
    n-methylformamide 185.93
    2-pentanol 78.58
    n-pentane 11.86
    1-propoxy-2-propanol 174.85
    1-methoxy-2-propyl acetate 219.57
    2-(2-methoxypropoxy) propanol 127.12
    mesitylene 74.89
    ε-caprolactone 195.34
    p-cymene 51.03
    epichlorohydrin 380.86
    1,1,1-trichloroethane 270.07
    2-aminoethanol 100.85
    morpholine-4-carbaldehyde 251.76
    sulfolane 173.43
    2,2,4-trimethylpentane 7.3
    2-methyltetrahydrofuran 203.14
    n-hexyl acetate 114.62
    isooctane 9.47
    2-(2-butoxyethoxy)ethanol 185.9
    sec-butyl acetate 81.14
    tert-butyl acetate 145.76
    decalin 12.48
    glycerin 82.23
    diglyme 320.34
    acrylic acid 109.57
    isopropyl myristate 48.42
    n-butyric acid 163.75
    acetyl acetate 167.53
    di(2-ethylhexyl) phthalate 47.42
    ethyl propionate 117.57
    nitromethane 301.65
    1,2-diethoxyethane 202.96
    benzonitrile 149.57
    trioctyl phosphate 34.12
    1-bromopropane 135.37
    gamma-valerolactone 369.83
    n-decanol 38.29
    triethyl phosphate 52.68
    4-methyl-2-pentanol 63.42
    propionitrile 177.34
    vinylene carbonate 186.49
    1,1,2-trichlorotrifluoroethane 188.87
    DMS 144.71
    cumene 53.57
    2-octanol 37.34
    2-hexanone 93.0
    octyl acetate 57.5
    limonene 52.67
    1,2-dimethoxyethane 224.91
    ethyl orthosilicate 51.62
    tributyl phosphate 42.39
    diacetone alcohol 150.08
    N,N-dimethylaniline 82.78
    acrylonitrile 227.0
    aniline 169.78
    1,3-propanediol 153.19
    bromobenzene 192.56
    dibromomethane 264.03
    1,1,2,2-tetrachloroethane 327.56
    2-methyl-cyclohexyl acetate 77.51
    tetrabutyl urea 49.85
    diisobutyl methanol 51.16
    2-phenylethanol 148.54
    styrene 82.8
    dioctyl adipate 58.25
    dimethyl sulfate 113.86
    ethyl butyrate 104.63
    methyl lactate 105.35
    butyl lactate 80.57
    diethyl carbonate 81.02
    propanediol butyl ether 102.06
    triethyl orthoformate 78.06
    p-tert-butyltoluene 51.09
    methyl 4-tert-butylbenzoate 103.27
    morpholine 391.12
    tert-butylamine 83.92
    n-dodecanol 29.33
    dimethoxymethane 243.34
    ethylene carbonate 156.78
    cyrene 89.04
    2-ethoxyethyl acetate 168.5
    2-ethylhexyl acetate 96.92
    1,2,4-trichlorobenzene 174.53
    4-methylpyridine 246.3
    dibutyl ether 59.85
    2,6-dimethyl-4-heptanol 51.16
    DEF 138.1
    dimethyl isosorbide 186.05
    tetrachloroethylene 224.42
    eugenol 106.54
    triacetin 117.71
    span 80 92.76
    1,4-butanediol 45.88
    1,1-dichloroethane 285.87
    2-methyl-1-pentanol 54.76
    methyl formate 156.35
    2-methyl-1-butanol 79.84
    n-decane 7.84
    butyronitrile 156.04
    3,7-dimethyl-1-octanol 63.09
    1-chlorooctane 36.37
    1-chlorotetradecane 16.35
    n-nonane 6.99
    undecane 6.01
    tert-butylcyclohexane 12.13
    cyclooctane 8.68
    cyclopentanol 91.04
    tetrahydropyran 264.23
    tert-amyl methyl ether 78.77
    2,5,8-trioxanonane 201.95
    1-hexene 31.25
    2-isopropoxyethanol 99.6
    2,2,2-trifluoroethanol 86.77
    methyl butyrate 120.63

    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
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.2%
Alpinia chinensis (China) Alpinia chinensis Rosc., fam. Zingiberaceae 2.0%
Alpinia japonica Alpinia japonica Miq., fam. Zingiberaceae 0.3%
Amomum villosum (China) 1f fruit Amomum villosum Lour., fam. Zingiberaceae 0.2%
Amomum villosum (China) 1g leaf Amomum villosum Lour., fam. Zingiberaceae 1.1%
Amomum villosum (China) 1c Amomum villosum Lour., fam. Zingiberaceae 0.2%
Amomum villosum (China) 1e Amomum villosum Lour., fam. Zingiberaceae 0.01%
Amomum villosum (China) 1a Amomum villosum Lour. var. xanthioides, fam. Zingiberaceae 0.01%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.35%
Roman chamomile (Italy) 1 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 5.0%
Cymbopogon jwarancusa (India) Cymbopogon jwarancusa (Jones) Schult., fam. Poaceae (Gramineae) 0.2%
Eucalyptus globulus (Spain) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.07%
Germander, common (Italy) Teucrium chamaedrys L., fam. Lamiaceae (Labiatae) 0.1%
Ginger (Sri Lanka) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.06%
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.94%
Juniper berry 1 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.1%
Larix conifer bark Larix decidua Mill., fam. Pinaceae 1.47%
Laurel leaf (USA) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.17%
Lavandula dentata (Chemotype A) Lavandula dentata L. (Chemotype A), fam. Lamiaceae (Labiatae) 1.9%
Lavandula dentata (Chemotype B) Lavandula dentata L. (Chemotype B), fam. Lamiaceae (Labiatae) 3.6%
Lavandula stoechas (ssp. sampaioana A) Lavandula stoechas L. (ssp. sampaioana, Chemotype A), fam. Lamiaceae 0.1%
Lavandula stoechas (ssp. pedunculata A) Lavandula stoechas L. (ssp. pedunculata, Chemotype A), fam. Lamiaceae 0.2%
Lavandula stoechas (ssp. pedunculata B) Lavandula stoechas L. (ssp. pedunculata, Chemotype B), fam. Lamiaceae 1.8%
Lavandula stoechas (ssp. sampaioana B) Lavandula stoechas L. (ssp. sampaioana, Chemotype B), fam. Lamiaceae 2.3%
Lavandula stoechas (ssp. stoechas) Lavandula stoechas L. (ssp. stoechas), fam. Lamiaceae (Labiatae) 0.4%
Mastic gum (Greece) 1 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.09%
Myrtle leaf, cultivated (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.22%
Myrtle leaf, wildgrowing (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.16%
Nutmeg (India) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.01%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.5%
Pinus pinaster (Portugal) 1 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Pteronia incana 2 Pteronia incana, fam. Asteraceae (Compositae) 0.5%
Rhanterium Rhanterium epapposum Oliv. 0.23%
Sideritis granatensis Sideritis granatensis (Pau) Rivas-Goday, fam. Lamiaceae (Labiatae) 0.05%
Tansy (Belgium) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 0.1%
Xylopia parviflora fruit (Cameroon) Xylopia parviflora (A. Rich) Benth., fam. Annonaceae 1.5%
Annual wormwood, leaf (U.S.A., Indiana) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.2%
Annual wormwood, leaf (U.S.A., Indiana) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.5%
Annual wormwood, flower (U.S.A., Indiana) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.4%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.03%
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 0.2%
Juniperus flaccida var. flaccida Juniperus flaccida Schlecht, var. flaccida, fam. Cupressaceae 0.2%
Juniperus flaccida var. poblana Juniperus flaccida var. poblana Martinez, fam. Cupressaceae 0.2%
Agathosma apiculata Agathosma apiculata G.F.W. Mey, fam. Diosmeae (Rutaceae) 0.2%
Agathosma clavisepala Agathosma clavisepala R.A. Dyer, fam. Diosmeae (Rutaceae) 2.6%
Cypress cones (Egypt) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.1%