Methyl benzoate

  • Identifiers

    CAS mumber
    93-58-3

    Molecular formula
    C8H8O2

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

    Retention indicies (RI)

    • DB5: 1087.75
    • Carbowax: 1619.0

  • Properties

    XLogP3-AA
    2.1 Well soluble in DEP, MMB, BB

    Molecular weight
    136.15 g/mol

    Melting points

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

    Boiling points

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

    Flash points

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

    Solubilities

    • 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
1 3

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%