Safranal

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  • Identifiers

    CAS number
    116-26-7

    Molecular formula
    C10H14O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1205.0
    • Carbowax: 1606.0

  • Odor profile

    Herbal 79.93%
    Woody 65.94%
    Spicy 60.35%
    Mint 60.27%
    Green 49.37%
    Floral 49.26%
    Fresh 47.37%
    Sweet 47.27%
    Citrus 44.93%
    Camphoreous 44.81%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • < 25 °C

    Boiling point

    • 70.00 °C. @ 1.00 mm Hg

    Flash point est.
    97.28 ˚C

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Safranal
    • 116-26-7
    • 2,3-Dihydro-2,2,6-trimethylbenzaldehyde
    • 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-
    • 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde
    • 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
    • Dehydro-beta-cyclocitral
    • 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
    • (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal
    • FEMA No. 3389
    • 2,6,6-Trimethyl-1,3-cyclohexadienal
    • 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene
    • 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal
    • EINECS 204-133-7
    • DTXSID7049398
    • CHEBI:53169
    • 4393FR07EA
    • SAFRANAL [MI]
    • MFCD00209531
    • DTXCID4029357
    • DEHYDRO-.BETA.-CYCLOCITRAL
    • Safranal (>80%)
    • 2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL METHANAL [FHFI]
    • UNII-4393FR07EA
    • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; 2,2,6-Trimethyl-4,6-cyclohexadien-1-aldehyde; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-aldehyde;
    • Dehydro-b-cyclocitral
    • Safranal (>80per cent)
    • SCHEMBL23561
    • Safranal, >=90%, stabilized
    • CHEMBL3183495
    • FEMA 3389
    • GTPL13283
    • SGAWOGXMMPSZPB-UHFFFAOYSA-
    • HY-N7560
    • Tox21_202723
    • Safranal,stabilized with a-tocopherol
    • AKOS022504707
    • FD75181
    • NCGC00260271-01
    • AS-75889
    • CAS-116-26-7
    • SY317420
    • DB-019750
    • A3429
    • CS-0133689
    • NS00012258
    • 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene
    • C17062
    • D78038
    • EN300-781042
    • Q424919
    • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde
    • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #
    • BRD-K90582192-001-01-9
    • 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI
    • Z1255446334
    • InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
    • 204-133-7

  • Applications

    Safranal (CAS 116-26-7) is a monoterpenaldehyde responsible for the characteristic aroma of saffron stigmas, widely employed as a natural flavouring agent in beverages, confectionery, dairy products and gourmet seasonings; in the fragrance-cosmetics sector to impart warm, sweet, slightly woody notes to perfumes, soaps and creams; in pharmaceuticals and bioscience research for its antioxidant, anti-inflammatory, neuroprotective, antidepressant and anticancer potential; and it is also utilized as an aroma marker in analytical studies and quality assessment of saffron.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 347.12
    methanol 420.83
    isopropanol 218.7
    water 1.38
    ethyl acetate 494.68
    n-propanol 306.01
    acetone 440.98
    n-butanol 255.16
    acetonitrile 629.58
    DMF 458.66
    toluene 384.19
    isobutanol 182.25
    1,4-dioxane 1073.08
    methyl acetate 455.62
    THF 1321.86
    2-butanone 424.71
    n-pentanol 157.43
    sec-butanol 198.44
    n-hexane 88.69
    ethylene glycol 46.26
    NMP 584.07
    cyclohexane 156.37
    DMSO 289.84
    n-butyl acetate 319.69
    n-octanol 107.06
    chloroform 1034.58
    n-propyl acetate 215.68
    acetic acid 298.45
    dichloromethane 879.22
    cyclohexanone 696.84
    propylene glycol 51.9
    isopropyl acetate 248.73
    DMAc 225.97
    2-ethoxyethanol 197.01
    isopentanol 186.91
    n-heptane 63.15
    ethyl formate 259.43
    1,2-dichloroethane 589.89
    n-hexanol 311.48
    2-methoxyethanol 365.92
    isobutyl acetate 130.22
    tetrachloromethane 210.7
    n-pentyl acetate 157.97
    transcutol 714.04
    n-heptanol 117.77
    ethylbenzene 153.85
    MIBK 206.54
    2-propoxyethanol 394.55
    tert-butanol 245.47
    MTBE 282.67
    2-butoxyethanol 175.29
    propionic acid 260.44
    o-xylene 168.46
    formic acid 131.14
    diethyl ether 561.32
    m-xylene 237.37
    p-xylene 170.63
    chlorobenzene 401.74
    dimethyl carbonate 141.16
    n-octane 22.13
    formamide 185.14
    cyclopentanone 800.43
    2-pentanone 372.33
    anisole 244.13
    cyclopentyl methyl ether 626.16
    gamma-butyrolactone 944.13
    1-methoxy-2-propanol 273.33
    pyridine 629.35
    3-pentanone 297.99
    furfural 541.78
    n-dodecane 14.59
    diethylene glycol 228.92
    diisopropyl ether 147.78
    tert-amyl alcohol 178.15
    acetylacetone 313.24
    n-hexadecane 17.11
    acetophenone 178.69
    methyl propionate 350.49
    isopentyl acetate 254.6
    trichloroethylene 958.96
    n-nonanol 94.89
    cyclohexanol 309.0
    benzyl alcohol 155.99
    2-ethylhexanol 160.76
    isooctanol 91.36
    dipropyl ether 230.53
    1,2-dichlorobenzene 300.46
    ethyl lactate 88.61
    propylene carbonate 397.44
    n-methylformamide 334.62
    2-pentanol 182.22
    n-pentane 87.55
    1-propoxy-2-propanol 263.03
    1-methoxy-2-propyl acetate 296.01
    2-(2-methoxypropoxy) propanol 164.36
    mesitylene 139.33
    ε-caprolactone 542.57
    p-cymene 90.34
    epichlorohydrin 874.6
    1,1,1-trichloroethane 597.33
    2-aminoethanol 112.47
    morpholine-4-carbaldehyde 513.99
    sulfolane 635.37
    2,2,4-trimethylpentane 30.15
    2-methyltetrahydrofuran 912.94
    n-hexyl acetate 231.26
    isooctane 32.46
    2-(2-butoxyethoxy)ethanol 224.27
    sec-butyl acetate 153.45
    tert-butyl acetate 243.92
    decalin 56.06
    glycerin 79.94
    diglyme 401.25
    acrylic acid 218.91
    isopropyl myristate 89.59
    n-butyric acid 328.62
    acetyl acetate 250.74
    di(2-ethylhexyl) phthalate 78.32
    ethyl propionate 211.32
    nitromethane 548.01
    1,2-diethoxyethane 300.19
    benzonitrile 277.29
    trioctyl phosphate 60.41
    1-bromopropane 433.61
    gamma-valerolactone 796.58
    n-decanol 70.26
    triethyl phosphate 91.8
    4-methyl-2-pentanol 107.88
    propionitrile 440.91
    vinylene carbonate 367.3
    1,1,2-trichlorotrifluoroethane 300.76
    DMS 206.01
    cumene 93.55
    2-octanol 75.24
    2-hexanone 221.16
    octyl acetate 108.97
    limonene 135.09
    1,2-dimethoxyethane 371.44
    ethyl orthosilicate 93.0
    tributyl phosphate 78.2
    diacetone alcohol 224.62
    N,N-dimethylaniline 136.96
    acrylonitrile 459.28
    aniline 303.75
    1,3-propanediol 166.63
    bromobenzene 419.89
    dibromomethane 644.93
    1,1,2,2-tetrachloroethane 608.79
    2-methyl-cyclohexyl acetate 157.04
    tetrabutyl urea 92.0
    diisobutyl methanol 92.93
    2-phenylethanol 213.39
    styrene 179.92
    dioctyl adipate 112.82
    dimethyl sulfate 179.88
    ethyl butyrate 206.86
    methyl lactate 117.5
    butyl lactate 104.0
    diethyl carbonate 140.85
    propanediol butyl ether 122.16
    triethyl orthoformate 139.54
    p-tert-butyltoluene 91.56
    methyl 4-tert-butylbenzoate 166.07
    morpholine 1046.9
    tert-butylamine 186.03
    n-dodecanol 54.81
    dimethoxymethane 407.72
    ethylene carbonate 314.01
    cyrene 146.39
    2-ethoxyethyl acetate 219.09
    2-ethylhexyl acetate 212.09
    1,2,4-trichlorobenzene 323.44
    4-methylpyridine 552.59
    dibutyl ether 148.78
    2,6-dimethyl-4-heptanol 92.93
    DEF 332.1
    dimethyl isosorbide 314.06
    tetrachloroethylene 426.21
    eugenol 149.51
    triacetin 165.54
    span 80 141.98
    1,4-butanediol 56.26
    1,1-dichloroethane 631.56
    2-methyl-1-pentanol 123.68
    methyl formate 266.62
    2-methyl-1-butanol 181.16
    n-decane 25.64
    butyronitrile 417.77
    3,7-dimethyl-1-octanol 100.95
    1-chlorooctane 97.41
    1-chlorotetradecane 38.8
    n-nonane 26.17
    undecane 18.9
    tert-butylcyclohexane 47.21
    cyclooctane 53.98
    cyclopentanol 316.13
    tetrahydropyran 1098.6
    tert-amyl methyl ether 206.15
    2,5,8-trioxanonane 251.54
    1-hexene 203.66
    2-isopropoxyethanol 140.45
    2,2,2-trifluoroethanol 119.11
    methyl butyrate 245.06

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0022 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.025 %
Category 2
Products applied to the axillae
 0.00066 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.025 %
Category 3
Products applied to the face/body using fingertips
 0.013 % Category 8
Products with significant anogenital exposure
 0.0013 %
Category 4
Products related to fine fragrance
 0.012 % Category 9
Products with body and hand exposure, primarily rinse off
 0.024 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.0032 % Category 10A
Household care products with mostly hand contact
 0.087 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.0032 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.087 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.0032 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.048 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.0032 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.048 %
Category 6
Products with oral and lip exposure
 0.0073 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Saffron 1 8022-19-3 Crocus sativus L., fam. Iridaceae 47.0%
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 60.3%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.03%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.05%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.5%
Wormwood (Mugwort) (Cuba) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.59%
Fitweed seed Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.13%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Tessaria absinthioides (Argentina) Tessaria absinthioides (Hook et Arn.) D. Candole, fam. Asteraceae (Comp.) 1.4%
Lemon balm (Italy) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.2%
Echinophora cinerea Echinophora cinerea (Boiss.) Hedge et Lamond, fam. Apiaceae (Umbelliferae) 0.5%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.4%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.15%