Carvacryl acetate

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  • Identifiers

    CAS number
    6380-28-5

    Molecular formula
    C12H16O2

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

    Retention indicies (RI)

    • DB5: 1370.0

  • Odor profile

    Herbal 77.6%
    Fruity 72.35%
    Spicy 66.89%
    Woody 49.16%
    Phenolic 38.99%
    Sweet 38.58%
    Balsamic 34.17%
    Mint 34.02%
    Warm 31.67%
    Medicinal 31.25%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 29.00 to 30.00 °C. @ 760.00 mm Hg

    Boiling point

    • 246.50 °C. @ 760.00 mm Hg

    Flash point est.
    108.97 ˚C

  • Synonyms

    • Carvacryl acetate
    • 6380-28-5
    • 5-Isopropyl-o-tolyl acetate
    • (2-methyl-5-propan-2-ylphenyl) acetate
    • Carvacrol acetate
    • Phenol, 2-methyl-5-(1-methylethyl)-, acetate
    • 2A2BR75B36
    • 5-Isopropyl-2-methylphenol acetate
    • NSC-6601
    • EINECS 228-963-4
    • AI3-03429
    • 4395-82-8
    • DTXSID40863777
    • NSC 6601
    • UNII-2A2BR75B36
    • acetic acid 5-isopropyl-2-methyl-phenyl ester
    • MFCD00270428
    • 2-methyl-5-(propan-2-yl)phenyl acetate
    • Acetic acid, carvacryl-
    • Acetic acid, carvacryl-,
    • SCHEMBL247416
    • DTXCID90812356
    • NSC6601
    • CHEBI:179898
    • OXZSUQJHKQOGOK-UHFFFAOYSA-N
    • HY-N9503
    • 5-Isopropyl-2-methylphenyl acetate #
    • AKOS006227942
    • FS-10666
    • DB-254192
    • CS-0181971
    • NS00044622
    • Q27254462
    • 228-963-4

  • Applications

    Carvacryl acetate (CAS 6380-28-5) is the acetate ester of carvacrol, used mainly as a fragrance and flavor ingredient to impart warm, herbal, thyme/oregano-like, slightly woody notes and to soften carvacrol’s phenolic harshness in perfumes, soaps, detergents, candles, personal care products, and in food flavor systems for seasonings, sauces, processed meats, and snacks (as a flavor modifier and masking agent); in preservation and hygiene it is applied in delivery systems/microencapsulation, active food-packaging films and edible coatings, air-care and surface-treatment products leveraging reported antimicrobial, antifungal and antioxidant activity, and has been investigated as a plant-derived insect repellent/insecticide, feed additive, postharvest treatment, and polymer additive (grafted/immobilized/nano-dispersed) for controlled release of aroma and activity; in organic synthesis and R&D it serves as an intermediate to access carvacrol derivatives, pro-fragrances/pro-preservatives, a potential permeation enhancer or anti-biofilm adjunct in research, and as a reference standard for method development; typical formulation notes include hydrophobicity, solubility in organic solvents, moderate volatility, and the need to follow safety guidance and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 576.45
    methanol 669.19
    isopropanol 490.19
    water 0.48
    ethyl acetate 509.38
    n-propanol 525.56
    acetone 812.46
    n-butanol 506.86
    acetonitrile 517.44
    DMF 1589.94
    toluene 420.0
    isobutanol 406.7
    1,4-dioxane 1133.62
    methyl acetate 651.93
    THF 1305.36
    2-butanone 781.87
    n-pentanol 358.6
    sec-butanol 486.99
    n-hexane 78.32
    ethylene glycol 98.43
    NMP 960.51
    cyclohexane 85.27
    DMSO 730.81
    n-butyl acetate 438.92
    n-octanol 173.44
    chloroform 1731.14
    n-propyl acetate 291.96
    acetic acid 297.17
    dichloromethane 1304.59
    cyclohexanone 853.89
    propylene glycol 196.62
    isopropyl acetate 281.77
    DMAc 1187.96
    2-ethoxyethanol 372.84
    isopentanol 444.07
    n-heptane 21.63
    ethyl formate 331.32
    1,2-dichloroethane 875.05
    n-hexanol 412.6
    2-methoxyethanol 630.42
    isobutyl acetate 220.38
    tetrachloromethane 177.39
    n-pentyl acetate 216.87
    transcutol 775.92
    n-heptanol 158.6
    ethylbenzene 243.36
    MIBK 289.01
    2-propoxyethanol 562.71
    tert-butanol 636.79
    MTBE 632.72
    2-butoxyethanol 264.77
    propionic acid 345.77
    o-xylene 238.69
    formic acid 88.78
    diethyl ether 518.85
    m-xylene 241.76
    p-xylene 313.19
    chlorobenzene 464.33
    dimethyl carbonate 215.98
    n-octane 13.01
    formamide 171.08
    cyclopentanone 982.05
    2-pentanone 517.11
    anisole 450.97
    cyclopentyl methyl ether 503.93
    gamma-butyrolactone 898.02
    1-methoxy-2-propanol 509.05
    pyridine 789.71
    3-pentanone 429.29
    furfural 691.19
    n-dodecane 12.18
    diethylene glycol 337.54
    diisopropyl ether 126.68
    tert-amyl alcohol 551.16
    acetylacetone 485.82
    n-hexadecane 14.32
    acetophenone 347.76
    methyl propionate 450.21
    isopentyl acetate 369.13
    trichloroethylene 1515.48
    n-nonanol 148.13
    cyclohexanol 437.34
    benzyl alcohol 330.7
    2-ethylhexanol 218.39
    isooctanol 129.6
    dipropyl ether 191.29
    1,2-dichlorobenzene 367.01
    ethyl lactate 145.22
    propylene carbonate 516.95
    n-methylformamide 466.35
    2-pentanol 315.49
    n-pentane 47.56
    1-propoxy-2-propanol 352.66
    1-methoxy-2-propyl acetate 346.6
    2-(2-methoxypropoxy) propanol 254.67
    mesitylene 126.85
    ε-caprolactone 674.39
    p-cymene 102.56
    epichlorohydrin 1077.96
    1,1,1-trichloroethane 750.02
    2-aminoethanol 230.52
    morpholine-4-carbaldehyde 858.69
    sulfolane 862.0
    2,2,4-trimethylpentane 31.16
    2-methyltetrahydrofuran 949.29
    n-hexyl acetate 351.31
    isooctane 19.79
    2-(2-butoxyethoxy)ethanol 338.43
    sec-butyl acetate 217.35
    tert-butyl acetate 312.04
    decalin 52.48
    glycerin 196.25
    diglyme 573.02
    acrylic acid 278.5
    isopropyl myristate 115.51
    n-butyric acid 432.53
    acetyl acetate 272.01
    di(2-ethylhexyl) phthalate 128.16
    ethyl propionate 266.52
    nitromethane 516.1
    1,2-diethoxyethane 347.06
    benzonitrile 392.44
    trioctyl phosphate 89.56
    1-bromopropane 561.46
    gamma-valerolactone 1036.54
    n-decanol 106.21
    triethyl phosphate 120.49
    4-methyl-2-pentanol 187.06
    propionitrile 469.18
    vinylene carbonate 462.82
    1,1,2-trichlorotrifluoroethane 549.82
    DMS 293.31
    cumene 144.76
    2-octanol 120.07
    2-hexanone 387.56
    octyl acetate 160.54
    limonene 143.27
    1,2-dimethoxyethane 730.66
    ethyl orthosilicate 116.0
    tributyl phosphate 113.18
    diacetone alcohol 355.82
    N,N-dimethylaniline 275.77
    acrylonitrile 511.08
    aniline 434.72
    1,3-propanediol 329.11
    bromobenzene 504.44
    dibromomethane 924.59
    1,1,2,2-tetrachloroethane 1285.36
    2-methyl-cyclohexyl acetate 211.75
    tetrabutyl urea 147.3
    diisobutyl methanol 102.72
    2-phenylethanol 324.94
    styrene 307.02
    dioctyl adipate 165.19
    dimethyl sulfate 311.49
    ethyl butyrate 243.72
    methyl lactate 201.55
    butyl lactate 173.81
    diethyl carbonate 173.54
    propanediol butyl ether 260.92
    triethyl orthoformate 157.23
    p-tert-butyltoluene 103.35
    methyl 4-tert-butylbenzoate 242.57
    morpholine 1222.57
    tert-butylamine 370.35
    n-dodecanol 78.15
    dimethoxymethane 611.86
    ethylene carbonate 405.58
    cyrene 266.02
    2-ethoxyethyl acetate 305.38
    2-ethylhexyl acetate 301.88
    1,2,4-trichlorobenzene 462.95
    4-methylpyridine 909.45
    dibutyl ether 191.13
    2,6-dimethyl-4-heptanol 102.72
    DEF 600.2
    dimethyl isosorbide 388.08
    tetrachloroethylene 689.97
    eugenol 263.17
    triacetin 259.03
    span 80 225.15
    1,4-butanediol 155.56
    1,1-dichloroethane 939.88
    2-methyl-1-pentanol 345.54
    methyl formate 355.09
    2-methyl-1-butanol 442.52
    n-decane 20.56
    butyronitrile 509.66
    3,7-dimethyl-1-octanol 169.42
    1-chlorooctane 117.2
    1-chlorotetradecane 44.07
    n-nonane 19.86
    undecane 15.29
    tert-butylcyclohexane 50.17
    cyclooctane 23.56
    cyclopentanol 445.09
    tetrahydropyran 1020.89
    tert-amyl methyl ether 408.35
    2,5,8-trioxanonane 377.51
    1-hexene 287.62
    2-isopropoxyethanol 298.17
    2,2,2-trifluoroethanol 116.43
    methyl butyrate 387.98

    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
Minthostachys glabrescens Minthostachys glabrescens Epling, fam. Lamiaceae (Labiatae) 1.7%
Savory, winter (Spain) 90106-57-3 Satureja montana L., fam. Lamiaceae (Labiatae) 0.08%
Thymus mongolicus (China) 2 Thymus mongolicus Ronn., fam. Lamiaceae (Labiatae) 0.19%
Oregano, greek (Turkey) 2 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.05%
Lippia multiflora leaf (Benin) Lippia multiflora Moldenke (syn.L.adoensis & L.grandiflora) fam.Verbenacea 0.1%
Eupatorium arnottianum leaf Eupatorium arnottianum Griseb., fam. Asteraceae (Compositae) 2.11%
Oregano, mexican (Mexico) 2 Lippia graveolens HBK., fam. Verbenaceae 0.3%
Eupatorium hecatanthum leaf Eupatorium hecatanthum (DC.) Baker, fam. Asteraceae (Compositae) 3.4%
Eupatorium argentinum leaf Eupatorium argentinum Hook and Arn., fam Asteraceae (Compositae) 4.1%
Eupatorium subhastatum leaf Eupatorium subhastatum (DC.) Baker, fam. Asteraceae (Compositae) 3.2%
Ageratum conyzoides leaf (Cameroon) Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.01%
Oregano, greek 3 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.1%
Savory, summer (Iran) 1 8016-68-0 Satureja hortensis L., fam. Lamiaceae (Labiatae) 0.2%
Satureja pilosa (Bulgaria) Satureja pilosa var. pilosa Velen, fam. Lamiaceae (Labiatae) 0.05%
Thymus richardii Thymus richardii Pers. ssp. nitidus (Guss.) Jalas, fam. Lamiaceae (Labiat) 0.05%
Thymus transcaspicus (Iran) Thymus transcaspicus Klokov, fam. Lamiaceae (Labiatae) 0.16%
Zataria multiflora (Iran) 2 flowering tops Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 0.72%
Oregano, greek (Italy) 4 84012-24-8 Origanum vulgare L., fam. Lamiaceae (Labiatae) 0.3%
Thymus capitatus (Tunisia) Thymus capitatus (L.) Hoffmanns et Link, fam. Lamiaceae (Labiatae) 0.1%
Thymus x oblongifolius (Lithuania) Thymus x oblongifolius Opiz, fam. Lamiaceae (Labiatae) 0.05%
Oregano, greek (Greece) 4 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.2%
Oregano, greek (Italy) 2 84012-24-8 Origanum vulgare L. ssp hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.3%
Oregano, greek (United Kingdom) 84012-24-8 Origanum vulgare L., fam. Lamiaceae (Labiatae) 0.1%
Oregano, greek (Greece) 3 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.36%