Myristicin

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  • Identifiers

    CAS number
    607-91-0

    Molecular formula
    C11H12O3

    SMILES
    COC1=CC(=CC2=C1OCO2)CC=C

    Retention indicies (RI)

    • DB5: 1522.86
    • Carbowax: 2270.33

  • Odor profile

    Fragrance
    Spicy 86.28%
    Woody 63.46%
    Warm 47.48%
    Clove 46.8%
    Sweet 46.2%
    Floral 39.0%
    Phenolic 38.84%
    Balsamic 37.43%
    Herbal 34.65%
    Smoky 32.88%

     

    Flavor
    Spice 67.62%
    Woody 60.31%
    Spicy 42.63%
    Warm 38.17%
    Clove 36.12%
    Balsam 35.61%
    Floral 33.61%
    Flower 33.59%
    Sweet 33.23%
    Smoky 27.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.01 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • <-20 °C
    • < -20 °C

    Boiling point

    • 276.5 °C
    • 171.00 to 173.00 °C. @ 40.00 mm Hg

    Flash point

    • 107.87 ˚C est.

    Solubility expt.

    • Insoluble in water, slightly soluble in ethanol, soluble in ether and benzene.
    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Myristicin
    • 607-91-0
    • Myristicine
    • 6-Allyl-4-methoxy-1,3-benzodioxole
    • Myristicin (6CI)
    • 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene
    • 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole
    • CCRIS 6782
    • 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-
    • HSDB 3516
    • Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-
    • EINECS 210-146-9
    • BRN 0166218
    • 04PD6CT78W
    • DTXSID1025693
    • CHEBI:68234
    • MYRISTICIN [MI]
    • 5-Allyl-2,3-(methylendioxy)anisole
    • MFCD00133549
    • MYRISTICIN [HSDB]
    • 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole
    • DTXCID605693
    • 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole
    • 5-19-02-00631 (Beilstein Handbook Reference)
    • 6-allyl-4-methoxybenzo[d][1,3]dioxole
    • 1-Allyl-3-methoxy-4,5-methylenedioxybenzene
    • 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene
    • 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI
    • 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene
    • 5-ALLYL-1-METHOXY-2,3-METHYLENEDIOXYBENZENE
    • UNII-04PD6CT78W
    • Myristicin_major
    • 4-methoxy-6-prop-2-enyl-1,3-benzodioxole
    • Myristicin (Standard)
    • SCHEMBL68041
    • MLS001065535
    • 6Allyl4methoxy1,3benzodioxole
    • Myristicin, analytical standard
    • CHEMBL481044
    • HY-N2510R
    • HMS2270K14
    • HY-N2510
    • Tox21_200172
    • 4Methoxy6(2propenyl)1,3benzodioxole
    • BDBM50242966
    • s3291
    • STK693140
    • 6-allyl-4-methoxy-benzo-1,3-dioxole
    • AKOS005604763
    • CCG-208543
    • FM26113
    • 1,3Benzodioxole, 4methoxy6(2propenyl)
    • 5Allyl1methoxy2,3(methylenedioxy)benzene
    • NCGC00091427-01
    • NCGC00091427-02
    • NCGC00257726-01
    • 1ST40367
    • AC-34678
    • CAS-607-91-0
    • DA-75834
    • MS-23038
    • SMR000112534
    • Benzene, 5allyl1methoxy2,3(methylenedioxy)
    • CS-0022781
    • NS00017756
    • C10480
    • 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole
    • Q414057
    • SR-01000838340
    • 6-ALLYL-1,3-BENZODIOXOL-4-YL METHYL ETHER
    • SR-01000838340-3
    • 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-(9CI)
    • 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI)
    • 210-146-9
    • 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole;6-Allyl-4-methoxy-1,3-benzodioxole;5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene

  • Applications

    Myristicin (CAS 607-91-0) is a natural phenylpropene found in nutmeg essential oil; in perfumery/fragrance, it can function as a fragrance ingredient or odorant; in the flavor industry, it contributes aroma to spice-derived formulations; in cosmetics/personal care, it is used as a fragrance component in cosmetics and personal care products; in household products, it may be present as a fragrance component in cleaners and air fresheners; in industrial manufacturing, it can serve as an intermediate or starting material for organic synthesis and related R&D, subject to local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 134.59
    methanol 178.45
    isopropanol 99.5
    water 1.06
    ethyl acetate 151.23
    n-propanol 111.79
    acetone 223.4
    n-butanol 101.91
    acetonitrile 160.24
    DMF 346.1
    toluene 43.82
    isobutanol 81.49
    1,4-dioxane 297.77
    methyl acetate 177.59
    THF 324.48
    2-butanone 138.18
    n-pentanol 76.78
    sec-butanol 89.24
    n-hexane 3.95
    ethylene glycol 157.45
    NMP 221.74
    cyclohexane 12.77
    DMSO 381.9
    n-butyl acetate 89.88
    n-octanol 53.57
    chloroform 438.1
    n-propyl acetate 100.22
    acetic acid 245.98
    dichloromethane 402.27
    cyclohexanone 193.27
    propylene glycol 121.05
    isopropyl acetate 87.43
    DMAc 214.62
    2-ethoxyethanol 205.68
    isopentanol 91.7
    n-heptane 6.1
    ethyl formate 141.2
    1,2-dichloroethane 300.49
    n-hexanol 85.15
    2-methoxyethanol 369.0
    isobutyl acetate 72.17
    tetrachloromethane 59.51
    n-pentyl acetate 60.96
    transcutol 394.96
    n-heptanol 52.06
    ethylbenzene 33.75
    MIBK 85.32
    2-propoxyethanol 181.18
    tert-butanol 139.51
    MTBE 83.02
    2-butoxyethanol 115.46
    propionic acid 133.14
    o-xylene 42.99
    formic acid 132.18
    diethyl ether 89.51
    m-xylene 45.53
    p-xylene 46.47
    chlorobenzene 123.58
    dimethyl carbonate 121.57
    n-octane 4.71
    formamide 191.09
    cyclopentanone 250.63
    2-pentanone 111.58
    anisole 108.77
    cyclopentyl methyl ether 118.33
    gamma-butyrolactone 290.65
    1-methoxy-2-propanol 226.24
    pyridine 176.66
    3-pentanone 89.51
    furfural 308.68
    n-dodecane 7.16
    diethylene glycol 267.88
    diisopropyl ether 29.78
    tert-amyl alcohol 104.3
    acetylacetone 176.45
    n-hexadecane 8.04
    acetophenone 109.64
    methyl propionate 139.46
    isopentyl acetate 83.5
    trichloroethylene 475.7
    n-nonanol 49.66
    cyclohexanol 107.8
    benzyl alcohol 104.28
    2-ethylhexanol 56.02
    isooctanol 46.42
    dipropyl ether 44.83
    1,2-dichlorobenzene 126.76
    ethyl lactate 91.01
    propylene carbonate 180.7
    n-methylformamide 197.36
    2-pentanol 65.48
    n-pentane 4.9
    1-propoxy-2-propanol 112.48
    1-methoxy-2-propyl acetate 109.91
    2-(2-methoxypropoxy) propanol 126.99
    mesitylene 32.7
    ε-caprolactone 163.0
    p-cymene 32.13
    epichlorohydrin 356.06
    1,1,1-trichloroethane 206.02
    2-aminoethanol 147.34
    morpholine-4-carbaldehyde 266.18
    sulfolane 311.97
    2,2,4-trimethylpentane 6.82
    2-methyltetrahydrofuran 170.85
    n-hexyl acetate 92.45
    isooctane 6.0
    2-(2-butoxyethoxy)ethanol 160.39
    sec-butyl acetate 68.25
    tert-butyl acetate 96.4
    decalin 10.59
    glycerin 228.3
    diglyme 286.98
    acrylic acid 160.65
    isopropyl myristate 46.44
    n-butyric acid 161.25
    acetyl acetate 125.95
    di(2-ethylhexyl) phthalate 59.43
    ethyl propionate 89.22
    nitromethane 375.99
    1,2-diethoxyethane 98.92
    benzonitrile 125.46
    trioctyl phosphate 44.73
    1-bromopropane 106.35
    gamma-valerolactone 285.96
    n-decanol 41.49
    triethyl phosphate 58.96
    4-methyl-2-pentanol 51.54
    propionitrile 124.71
    vinylene carbonate 191.36
    1,1,2-trichlorotrifluoroethane 297.68
    DMS 115.25
    cumene 31.48
    2-octanol 35.77
    2-hexanone 89.05
    octyl acetate 58.03
    limonene 40.77
    1,2-dimethoxyethane 269.05
    ethyl orthosilicate 54.58
    tributyl phosphate 52.91
    diacetone alcohol 132.5
    N,N-dimethylaniline 71.55
    acrylonitrile 191.47
    aniline 99.59
    1,3-propanediol 192.29
    bromobenzene 120.58
    dibromomethane 244.65
    1,1,2,2-tetrachloroethane 360.38
    2-methyl-cyclohexyl acetate 78.33
    tetrabutyl urea 63.4
    diisobutyl methanol 39.88
    2-phenylethanol 98.54
    styrene 43.5
    dioctyl adipate 72.87
    dimethyl sulfate 172.16
    ethyl butyrate 72.72
    methyl lactate 136.89
    butyl lactate 68.3
    diethyl carbonate 69.29
    propanediol butyl ether 120.01
    triethyl orthoformate 62.86
    p-tert-butyltoluene 31.94
    methyl 4-tert-butylbenzoate 98.32
    morpholine 275.1
    tert-butylamine 72.63
    n-dodecanol 34.68
    dimethoxymethane 251.48
    ethylene carbonate 160.05
    cyrene 138.66
    2-ethoxyethyl acetate 97.25
    2-ethylhexyl acetate 67.63
    1,2,4-trichlorobenzene 150.01
    4-methylpyridine 137.52
    dibutyl ether 47.22
    2,6-dimethyl-4-heptanol 39.88
    DEF 127.17
    dimethyl isosorbide 171.13
    tetrachloroethylene 244.74
    eugenol 108.56
    triacetin 111.69
    span 80 95.94
    1,4-butanediol 101.75
    1,1-dichloroethane 217.94
    2-methyl-1-pentanol 74.88
    methyl formate 221.48
    2-methyl-1-butanol 81.52
    n-decane 9.13
    butyronitrile 110.61
    3,7-dimethyl-1-octanol 56.82
    1-chlorooctane 37.52
    1-chlorotetradecane 20.75
    n-nonane 7.85
    undecane 8.06
    tert-butylcyclohexane 9.27
    cyclooctane 5.31
    cyclopentanol 117.2
    tetrahydropyran 167.36
    tert-amyl methyl ether 66.41
    2,5,8-trioxanonane 204.46
    1-hexene 18.67
    2-isopropoxyethanol 136.58
    2,2,2-trifluoroethanol 138.02
    methyl butyrate 113.55

    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
Bunium cylidricum seed Bunium cylindricum Boiss & Hoh and Drude, fam. Apiaceae (Umbelliferae) 67.2%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.13%
Celery seed 2 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.18%
Dill herb (Finland) 2 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 3.3%
Dill herb (Finland) 3 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 2.9%
Dill herb (Finland) 1 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 5.8%
Indian dill Anethum sowa Roxb., fam. Apiaceae (Umbelliferae) 0.05%
Mace 1 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 3.8%
Mace 2 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 1.3%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Nutmeg (India) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 8.4%
Nutmeg (India) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 5.8%
Nutmeg (Sri Lanka) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 3.45%
Nutmeg (India) 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 14.0%
Nutmeg 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 6.1%
Parsley absolute (Egypt) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 29.06%
Parsley herb (Egypt) 1 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 6.32%
Parsley seed 1 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 21.6%
Parsley seed (Egypt) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 13.27%
Pepper, black 1 8006-82-4 Piper nigrum L., fam. Piperaceae 0.1%
Nutmeg (West Indies) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.7%
Sassafras 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.1%
Guava leaf 1 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.5%
Cinnamomum burmannii (China) 1c leaf Cinnamomum burmannii Blume, fam. Lauraceae 1.2%
Cinnamomum burmannii (China) 1a bark Cinnamomum burmannii Blume, fam. Lauraceae 0.4%
Cinnamomum burmannii (China) 1b branch Cinnamomum burmannii Blume, fam. Lauraceae 0.6%
Parsley seed (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 47.54%
Parsley leaf (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (C. sativum Hoffm.), fam. Apiaceae 21.8%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Coriander fruit (Finland) 2 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Coriander fruit 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Nutmeg 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 3.12%
Nutmeg 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 9.65%
Nutmeg (Indonesia) 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 8.5%
Nutmeg 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 9.03%
Nutmeg (Indonesia) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 10.76%
Nutmeg (Sri Lanka) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 3.27%
Nutmeg (Hainan Island) 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 2.5%
Nutmeg (Malaysia) 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 5.7%
Nutmeg (Indonesia) 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 3.25%
Nutmeg (Indonesia) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 8.5%
Nutmeg (Sri Lanka) 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 3.95%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.9%
Parsley leaf (Tasmania) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 4.86%
Parsley leaf (Turkey) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 4.0%
Parsley leaf (Saudi Arabia) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 1.5%
Parsley leaf (Yugoslavia) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 60.5%
Parsley leaf (Iran) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.2%
Parsley 1c seed 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 56.6%
Parsley 1b leaf 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 1.66%