Rose oxide, cis-(+)-

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  • Identifiers

    CAS number
    876-17-5

    Molecular formula
    C10H18O

    SMILES
    C[C@H]1CCO[C@H](C1)C=C(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1114.0
    • Carbowax: 1349.33

  • Odor profile

    Fragrance
    Green 92.24%
    Herbal 85.5%
    Floral 83.05%
    Fresh 60.81%
    Geranium 55.96%
    Mint 55.58%
    Rose 55.06%
    Spicy 52.8%
    Leafy 47.58%
    Citrus 47.36%

     

    Flavor
    Green 74.91%
    Herbal 52.87%
    Fresh 50.5%
    Spicy 44.16%
    Minty 41.43%
    Mint 34.48%
    Spice 34.19%
    Herb 30.16%
    Earthy 25.97%
    Floral 24.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.76 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 53.08 ˚C est.

  • Synonyms

    • (+)-cis-rose oxide
    • 876-17-5
    • Rose oxide, (-)-
    • Rose oxide, cis-(+)-
    • 4610-11-1
    • UNII-08FS7459GK
    • (2R-cis)-Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
    • CIS-ROSENOXIDE
    • 08FS7459GK
    • 7G7H98N31J
    • (2R,4S)-rose oxide
    • FEMA No. 3236, (-)-
    • DTXSID50894739
    • (2R,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane
    • EINECS 225-017-2
    • (4S,2R)-(+)-ROSE OXIDE
    • FEMA NO. 3236, CIS-(+)-
    • Rose oxide L
    • 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2R,4S)-rel-
    • 2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYL-1-PROPENYL)-, (2R-CIS)-
    • 2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYLPROPENYL)-, CIS-(+)-
    • 2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYL-1-PROPEN-1-YL)-, (2R,4S)-
    • 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-
    • (+/-)-CIS-ROSE OXIDE
    • cis-(+)-rose oxide
    • D-CIS-ROSE OXIDE
    • UNII-7G7H98N31J
    • SCHEMBL3663078
    • CHEBI:90102
    • DTXCID101324294
    • DTXSID401033220
    • ROSE OXIDE, CIS-(+/-)-
    • NS00083671
    • FEMA NO. 3236, CIS-(+/-)-
    • Q27162313
    • cis-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
    • (2R,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
    • 2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYLPROPENYL)-, CIS-
    • (+)-(2R,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
    • (2R,4S)-(+)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
    • 2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYL-1-PROPENYL)-, CIS-
    • 225-017-2

  • Applications

    Rose oxide, cis-(+)- (CAS 876-17-5) is primarily used as a fragrance ingredient in perfumery and cosmetics, delivering a rose note in perfumes, scented personal care products, and household cleaning products; it is also evaluated for flavor applications to impart a rosy character in foods and beverages, subject to local regulations. As an aroma chemical, it can serve as a synthetic building block or intermediate for developing other aroma compounds used in fragrance and flavor formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 699.94
    methanol 468.76
    isopropanol 753.08
    water 1.33
    ethyl acetate 421.79
    n-propanol 654.0
    acetone 491.48
    n-butanol 724.9
    acetonitrile 551.22
    DMF 312.69
    toluene 414.43
    isobutanol 530.62
    1,4-dioxane 1010.95
    methyl acetate 360.26
    THF 1240.37
    2-butanone 456.13
    n-pentanol 443.24
    sec-butanol 663.1
    n-hexane 374.71
    ethylene glycol 114.08
    NMP 362.59
    cyclohexane 668.04
    DMSO 368.47
    n-butyl acetate 552.66
    n-octanol 468.55
    chloroform 2196.09
    n-propyl acetate 259.89
    acetic acid 546.42
    dichloromethane 1278.2
    cyclohexanone 728.46
    propylene glycol 253.11
    isopropyl acetate 270.11
    DMAc 294.68
    2-ethoxyethanol 320.55
    isopentanol 558.12
    n-heptane 472.75
    ethyl formate 284.71
    1,2-dichloroethane 565.5
    n-hexanol 1008.84
    2-methoxyethanol 481.24
    isobutyl acetate 206.76
    tetrachloromethane 454.92
    n-pentyl acetate 308.49
    transcutol 1192.73
    n-heptanol 399.22
    ethylbenzene 229.81
    MIBK 253.76
    2-propoxyethanol 710.2
    tert-butanol 842.24
    MTBE 557.96
    2-butoxyethanol 397.72
    propionic acid 423.03
    o-xylene 277.58
    formic acid 95.3
    diethyl ether 575.25
    m-xylene 279.12
    p-xylene 297.48
    chlorobenzene 468.31
    dimethyl carbonate 98.85
    n-octane 134.27
    formamide 104.58
    cyclopentanone 627.93
    2-pentanone 376.53
    anisole 289.27
    cyclopentyl methyl ether 597.52
    gamma-butyrolactone 597.45
    1-methoxy-2-propanol 456.14
    pyridine 703.57
    3-pentanone 288.9
    furfural 525.51
    n-dodecane 100.32
    diethylene glycol 388.64
    diisopropyl ether 219.08
    tert-amyl alcohol 604.89
    acetylacetone 296.34
    n-hexadecane 110.82
    acetophenone 248.43
    methyl propionate 276.44
    isopentyl acetate 468.16
    trichloroethylene 1063.6
    n-nonanol 380.94
    cyclohexanol 784.31
    benzyl alcohol 264.94
    2-ethylhexanol 597.39
    isooctanol 288.15
    dipropyl ether 585.08
    1,2-dichlorobenzene 394.11
    ethyl lactate 160.03
    propylene carbonate 440.89
    n-methylformamide 181.28
    2-pentanol 515.47
    n-pentane 369.55
    1-propoxy-2-propanol 605.19
    1-methoxy-2-propyl acetate 379.74
    2-(2-methoxypropoxy) propanol 384.27
    mesitylene 199.46
    ε-caprolactone 600.05
    p-cymene 263.35
    epichlorohydrin 652.59
    1,1,1-trichloroethane 827.97
    2-aminoethanol 258.31
    morpholine-4-carbaldehyde 444.33
    sulfolane 560.6
    2,2,4-trimethylpentane 133.75
    2-methyltetrahydrofuran 988.61
    n-hexyl acetate 517.25
    isooctane 116.74
    2-(2-butoxyethoxy)ethanol 532.64
    sec-butyl acetate 194.77
    tert-butyl acetate 281.94
    decalin 186.65
    glycerin 245.26
    diglyme 748.43
    acrylic acid 296.13
    isopropyl myristate 240.6
    n-butyric acid 702.1
    acetyl acetate 274.9
    di(2-ethylhexyl) phthalate 217.46
    ethyl propionate 216.71
    nitromethane 440.21
    1,2-diethoxyethane 467.55
    benzonitrile 457.55
    trioctyl phosphate 169.56
    1-bromopropane 601.2
    gamma-valerolactone 629.72
    n-decanol 290.97
    triethyl phosphate 174.52
    4-methyl-2-pentanol 273.5
    propionitrile 489.83
    vinylene carbonate 392.6
    1,1,2-trichlorotrifluoroethane 517.91
    DMS 255.14
    cumene 177.3
    2-octanol 290.2
    2-hexanone 308.23
    octyl acetate 298.72
    limonene 423.13
    1,2-dimethoxyethane 519.85
    ethyl orthosilicate 181.66
    tributyl phosphate 199.47
    diacetone alcohol 309.35
    N,N-dimethylaniline 214.28
    acrylonitrile 407.04
    aniline 405.56
    1,3-propanediol 372.01
    bromobenzene 515.58
    dibromomethane 1068.43
    1,1,2,2-tetrachloroethane 1018.13
    2-methyl-cyclohexyl acetate 330.2
    tetrabutyl urea 225.95
    diisobutyl methanol 298.96
    2-phenylethanol 378.85
    styrene 262.16
    dioctyl adipate 301.81
    dimethyl sulfate 123.67
    ethyl butyrate 344.29
    methyl lactate 168.21
    butyl lactate 258.43
    diethyl carbonate 236.19
    propanediol butyl ether 426.21
    triethyl orthoformate 277.85
    p-tert-butyltoluene 252.18
    methyl 4-tert-butylbenzoate 310.6
    morpholine 1039.12
    tert-butylamine 683.25
    n-dodecanol 233.36
    dimethoxymethane 262.03
    ethylene carbonate 350.26
    cyrene 261.08
    2-ethoxyethyl acetate 304.22
    2-ethylhexyl acetate 400.69
    1,2,4-trichlorobenzene 444.45
    4-methylpyridine 619.03
    dibutyl ether 469.02
    2,6-dimethyl-4-heptanol 298.96
    DEF 305.28
    dimethyl isosorbide 530.1
    tetrachloroethylene 634.55
    eugenol 271.13
    triacetin 402.88
    span 80 473.77
    1,4-butanediol 156.38
    1,1-dichloroethane 756.77
    2-methyl-1-pentanol 353.46
    methyl formate 144.19
    2-methyl-1-butanol 534.09
    n-decane 161.53
    butyronitrile 652.26
    3,7-dimethyl-1-octanol 403.34
    1-chlorooctane 334.96
    1-chlorotetradecane 158.97
    n-nonane 178.5
    undecane 121.3
    tert-butylcyclohexane 166.33
    cyclooctane 245.93
    cyclopentanol 674.2
    tetrahydropyran 1281.12
    tert-amyl methyl ether 376.63
    2,5,8-trioxanonane 562.03
    1-hexene 536.94
    2-isopropoxyethanol 262.27
    2,2,2-trifluoroethanol 142.44
    methyl butyrate 276.88

    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
Lemon balm 2 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.01%
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Eucalyptus citriodora (China) 1 8000-48-4 Eucalyptus citriodora Hook. f., fam. Myrtaceae 0.4%
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.69%
Geranium (Algeria) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.08%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.52%
Geranium, Bourbon 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.73%
Geranium, Bourbon 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.67%
Geranium, Bourbon 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.2%
Geranium, Bourbon 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.64%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.25%
Geranium (China) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.85%
Geranium (China, Yunnan) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaciae 0.62%
Geranium (China, Yunnan) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.92%
Geranium (China, Yunnan) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.12%
Geranium (China, Yunnan) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.4%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.04%
Geranium (Egypt) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.01%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.31%
Geranium (Morocco) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.97%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.36%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.25%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.4%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.35%
Rose (Turkey) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.08%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.31%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.84%
Geranium (India) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Bulgaria) 8000-46-2 Pelargonium graveolens l'Herit. ex Aiton, fam. Geraniaceae 0.64%
Geranium (India) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.6%
Geranium (India) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.19%
Geranium (India) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.44%
Geranium (India) 7 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.57%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.38%
Rose (Turkey) 3 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.22%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Cistus (Spain) 2 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.5%
Geranium, Bourbon 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.52%
Geranium 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.85%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.2%
Geranium, Bourbon 10 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.6%
Geranium (Madagascar) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.4%
Geranium (India) 8 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.8%
Geranium (Egypt) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.04%
Geranium (China, Yunnan) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.66%
Geranium (China, Beijing) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.39%
Geranium (China, Chengdu) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.55%
Geranium (Australia) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.4%