Methyl benzoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    93-58-3

    Molecular formula
    C8H8O2

    SMILES
    COC(=O)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1087.75
    • Carbowax: 1619.0

  • Odor profile

    Fruity 87.81%
    Floral 75.05%
    Sweet 74.73%
    Cherry 59.88%
    Almond 46.18%
    Anisic 43.55%
    Balsamic 41.29%
    Bitter 37.83%
    Herbal 37.65%
    Phenolic 37.5%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 10 °F (NTP, 1992)
    • -12.35 °C
    • -12.3 °C
    • -12 °C

    Boiling point

    • 388 to 390 °F at 760 mmHg (NTP, 1992)
    • 199 °C
    • 198.00 to 199.00 °C. @ 760.00 mm Hg

    Flash point est.
    77.72 ˚C

    Flash point expt.

    • 181 °F (NTP, 1992)
    • 181 °F (83 °C) (Closed cup)
    • 83 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 72.5 °F (NTP, 1992)
    • In water, 2100 mg/L at 20 °C
    • In water, 2.038X10+3 mg/L at 25 deg
    • Soluble in ethanol, carbon tetrachloride, methanol; miscible with diethyl ether
    • Miscible with alcohol, ether, methanol
    • For more Solubility (Complete) data for METHYL BENZOATE (6 total), please visit the HSDB record page.
    • 2.1 mg/mL at 20 °C
    • Solubility in water, g/l at 25 °C: 2 (slightly soluble)
    • insoluble in water, glycerol; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • METHYL BENZOATE
    • 93-58-3
    • Methylbenzoate
    • Benzoic acid, methyl ester
    • benzoic acid methyl ester
    • Clorius
    • Methyl benzenecarboxylate
    • Essence of niobe
    • Oxidate le
    • FEMA No. 2683
    • Methyl benzoate (natural)
    • Methylester kyseliny benzoove
    • NSC 9394
    • CCRIS 5851
    • HSDB 5283
    • EINECS 202-259-7
    • MFCD00008421
    • UNII-6618K1VJ9T
    • DTXSID5025572
    • CHEBI:72775
    • AI3-00525
    • CLORIUS-
    • 6618K1VJ9T
    • NSC-9394
    • Methyl ester of benzoic acid
    • DTXCID405572
    • EC 202-259-7
    • CAS-93-58-3
    • UN2938
    • Methylester kyseliny benzoove [Czech]
    • Benzoato de metilo
    • methyloxycarbonylbenzene
    • benzoic acid methylester
    • Methyl benzoate, 99%
    • Methyl-benzenecarboxylate
    • Benzoic acid-methyl ester
    • WLN: 1OVR
    • SCHEMBL7200
    • METHYL BENZOATE [MI]
    • MLS001050185
    • CHEMBL16435
    • METHYL BENZOATE [FCC]
    • METHYL BENZOATE [FHFI]
    • METHYL BENZOATE [HSDB]
    • SCHEMBL4790973
    • SCHEMBL10330498
    • NSC9394
    • Methyl benzoate, >=99% (GC)
    • Methyl benzoate, analytical standard
    • Tox21_201832
    • Tox21_303198
    • BBL010502
    • MSK000770
    • STK021498
    • AKOS000120640
    • Methyl benzoate, >=98%, FCC, FG
    • AT34734
    • FM36584
    • UN 2938
    • Methyl benzoate, for synthesis, 98.0%
    • NCGC00091665-01
    • NCGC00091665-02
    • NCGC00256939-01
    • NCGC00259381-01
    • BP-31073
    • SMR001216584
    • VS-02533
    • B0074
    • NS00012849
    • EN300-15500
    • Methyl benzoate, natural, >=98%, FCC, FG
    • C20645
    • A844641
    • Q417328
    • Methyl benzoate [UN2938] [Keep away from food]
    • Z19825577
    • F0001-2239
    • InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H
    • 202-259-7

  • Applications

    Methyl benzoate (CAS 93-58-3) is a fragrant ester of benzoic acid widely used as a sweet-floral note and fixative in perfumes, cosmetics, soaps and deodorants; as a flavor additive for candies, beverages and processed fruit; as a solvent and versatile intermediate in organic synthesis—especially in the manufacture of pyrethroid insecticides, dyes and pharmaceuticals; as an insect attractant for trapping orchid bees and fruit flies in pollination research and pest management; and also as a preservative, odor stabilizer and analytical reference material in environmental chemistry laboratories.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 530.93
    methanol 537.87
    isopropanol 374.32
    water 6.44
    ethyl acetate 589.44
    n-propanol 379.9
    acetone 812.52
    n-butanol 352.2
    acetonitrile 1083.33
    DMF 1297.28
    toluene 371.18
    isobutanol 295.45
    1,4-dioxane 1017.64
    methyl acetate 751.94
    THF 698.66
    2-butanone 682.54
    n-pentanol 297.2
    sec-butanol 366.15
    n-hexane 67.56
    ethylene glycol 196.79
    NMP 850.64
    cyclohexane 112.95
    DMSO 928.94
    n-butyl acetate 440.39
    n-octanol 346.34
    chloroform 2576.01
    n-propyl acetate 513.07
    acetic acid 673.93
    dichloromethane 2925.16
    cyclohexanone 757.96
    propylene glycol 142.23
    isopropyl acetate 297.81
    DMAc 818.77
    2-ethoxyethanol 506.46
    isopentanol 295.08
    n-heptane 87.12
    ethyl formate 704.24
    1,2-dichloroethane 1538.74
    n-hexanol 307.85
    2-methoxyethanol 678.06
    isobutyl acetate 246.85
    tetrachloromethane 426.65
    n-pentyl acetate 348.96
    transcutol 1123.79
    n-heptanol 259.97
    ethylbenzene 295.38
    MIBK 275.71
    2-propoxyethanol 433.67
    tert-butanol 448.38
    MTBE 355.94
    2-butoxyethanol 375.92
    propionic acid 544.27
    o-xylene 303.08
    formic acid 273.98
    diethyl ether 442.65
    m-xylene 277.66
    p-xylene 384.18
    chlorobenzene 646.26
    dimethyl carbonate 331.52
    n-octane 57.51
    formamide 684.77
    cyclopentanone 851.34
    2-pentanone 487.54
    anisole 531.69
    cyclopentyl methyl ether 348.58
    gamma-butyrolactone 1040.9
    1-methoxy-2-propanol 425.89
    pyridine 1027.32
    3-pentanone 401.16
    furfural 1081.51
    n-dodecane 52.5
    diethylene glycol 388.22
    diisopropyl ether 143.89
    tert-amyl alcohol 401.51
    acetylacetone 510.71
    n-hexadecane 59.66
    acetophenone 493.13
    methyl propionate 485.67
    isopentyl acetate 330.24
    trichloroethylene 2898.99
    n-nonanol 282.11
    cyclohexanol 331.47
    benzyl alcohol 397.41
    2-ethylhexanol 232.04
    isooctanol 205.19
    dipropyl ether 293.63
    1,2-dichlorobenzene 651.98
    ethyl lactate 244.63
    propylene carbonate 657.37
    n-methylformamide 901.66
    2-pentanol 256.96
    n-pentane 68.09
    1-propoxy-2-propanol 336.96
    1-methoxy-2-propyl acetate 304.71
    2-(2-methoxypropoxy) propanol 339.65
    mesitylene 198.95
    ε-caprolactone 657.89
    p-cymene 180.62
    epichlorohydrin 1199.26
    1,1,1-trichloroethane 1183.26
    2-aminoethanol 264.61
    morpholine-4-carbaldehyde 892.75
    sulfolane 1076.57
    2,2,4-trimethylpentane 46.11
    2-methyltetrahydrofuran 575.68
    n-hexyl acetate 519.19
    isooctane 38.19
    2-(2-butoxyethoxy)ethanol 470.13
    sec-butyl acetate 258.0
    tert-butyl acetate 284.03
    decalin 77.06
    glycerin 231.16
    diglyme 970.12
    acrylic acid 527.22
    isopropyl myristate 200.27
    n-butyric acid 563.93
    acetyl acetate 357.87
    di(2-ethylhexyl) phthalate 151.7
    ethyl propionate 394.03
    nitromethane 1408.6
    1,2-diethoxyethane 467.28
    benzonitrile 681.61
    trioctyl phosphate 135.16
    1-bromopropane 689.23
    gamma-valerolactone 899.96
    n-decanol 210.13
    triethyl phosphate 177.92
    4-methyl-2-pentanol 149.72
    propionitrile 762.6
    vinylene carbonate 766.99
    1,1,2-trichlorotrifluoroethane 806.92
    DMS 359.68
    cumene 205.72
    2-octanol 222.71
    2-hexanone 447.15
    octyl acetate 264.38
    limonene 223.47
    1,2-dimethoxyethane 905.26
    ethyl orthosilicate 166.01
    tributyl phosphate 152.39
    diacetone alcohol 343.54
    N,N-dimethylaniline 379.26
    acrylonitrile 1096.0
    aniline 405.66
    1,3-propanediol 352.83
    bromobenzene 760.51
    dibromomethane 1829.2
    1,1,2,2-tetrachloroethane 1770.29
    2-methyl-cyclohexyl acetate 242.05
    tetrabutyl urea 225.0
    diisobutyl methanol 151.23
    2-phenylethanol 332.77
    styrene 399.93
    dioctyl adipate 261.48
    dimethyl sulfate 449.58
    ethyl butyrate 396.22
    methyl lactate 267.32
    butyl lactate 247.51
    diethyl carbonate 310.12
    propanediol butyl ether 338.37
    triethyl orthoformate 240.09
    p-tert-butyltoluene 167.51
    methyl 4-tert-butylbenzoate 380.37
    morpholine 873.71
    tert-butylamine 313.42
    n-dodecanol 164.46
    dimethoxymethane 611.58
    ethylene carbonate 600.03
    cyrene 301.35
    2-ethoxyethyl acetate 398.19
    2-ethylhexyl acetate 260.33
    1,2,4-trichlorobenzene 654.44
    4-methylpyridine 853.51
    dibutyl ether 350.37
    2,6-dimethyl-4-heptanol 151.23
    DEF 649.34
    dimethyl isosorbide 458.48
    tetrachloroethylene 1325.77
    eugenol 364.8
    triacetin 408.73
    span 80 271.15
    1,4-butanediol 189.44
    1,1-dichloroethane 1388.1
    2-methyl-1-pentanol 263.65
    methyl formate 786.22
    2-methyl-1-butanol 288.66
    n-decane 83.41
    butyronitrile 710.88
    3,7-dimethyl-1-octanol 239.88
    1-chlorooctane 293.9
    1-chlorotetradecane 118.42
    n-nonane 85.79
    undecane 64.81
    tert-butylcyclohexane 71.86
    cyclooctane 46.22
    cyclopentanol 355.7
    tetrahydropyran 632.7
    tert-amyl methyl ether 290.28
    2,5,8-trioxanonane 615.34
    1-hexene 218.74
    2-isopropoxyethanol 352.72
    2,2,2-trifluoroethanol 312.97
    methyl butyrate 572.98

    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
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.04%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.38%
Coronilla emerus headspace Coronilla emerus L., fam. Leguminosae 0.2%
Easter Lily, Living Flower Headspace Lilium candidum L., fam. Liliaceae 13.3%
Easter Lily, Picked Flower Headspace A Lilium candidum L., fam. Liliaceae 21.4%
Easter Lily, Picked Flower Headspace B Lilium candidum L., fam. Liliaceae 18.7%
Jasmine (Indonesia) 8022-96-6 Jasminum officinale var. grandiflorum L. (Red Flower), fam. Oleaceae 0.11%
Jasmine sambac (Indonesia) Jasminum sambac (L.) Aiton, fam. Oleaceae 2.59%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 1.0%
Myrtle berry (Italy) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Narcissus tazetta absolute 3 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 1.21%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 3.69%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.66%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 2.6%
Populus deltoides Populus deltoides Bartr. (P. deltoides Marsh.), fam. Salicaceae 0.4%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.3%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.7%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 1.55%
Narcissus tazetta absolute 1 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 2.78%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.01%
Narcissus (Japan) 1b 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amaryllidaceae 0.01%
Clove stem (Madagascar) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.13%
Clove bud (Madagascar) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.09%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.05%
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 3.3%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.53%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 2.8%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 2.5%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.7%
False acacia flower (Black locust flower) 2 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 0.8%
Niaouli (Madagascar) 3 Melaleuca quinquenervia (Cav.) S.T. Blake, fam. Myrtaceae 0.08%
Lilac, White, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 0.01%
Daylily, Headspace Living Flower 1 Hemerocallis minor hybrid, fam. Liliaceae 11.47%
Daylily, Headspace Living Flower 2 Hemerocallis, ssp. Satin Glass, fam. Liliaceae 4.17%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.83%
Valerian, Picked Flowers Valeriana officinalis L., fam. Valerianaceae 0.43%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.01%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.14%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.3%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.09%
Ligustrum sinense, flower (China) Ligustrum sinense Lour., fam. Oliaceae 5.15%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 9.27%
Magnolia purpurella (China) 2 Magnolia purpurella Law et Zhou, fam. Magnoliaceae 0.36%
Magnolia grandiflora flower head space (China) 93062-76-1 Magnolia grandiflora L., fam. Magnoliaceae 0.79%
Betel leaf Kapoori (India) 2 Piper betle L. var. Kapoori, fam. Piperaceae 2.33%
Ylang Ylang 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 8.7%