Methyl butyrate

  • Identifiers

    CAS mumber
    623-42-7

    Molecular formula
    C5H10O2

    SMILES
    CCCC(=O)OC

    Retention indicies (RI)

    • DB5: 723.5
    • Carbowax: 988.57

  • Properties

    XLogP3-AA
    1.3 Well soluble in MMB, DEP, TEC

    Molecular weight
    102.13 g/mol

    Melting points

    • -139 °F (NTP, 1992)
    • -85.8 °C
    • -95 °C

    Boiling points

    • 216 °F at 760 mmHg (NTP, 1992)
    • 102.8 °C @ 760 mm Hg
    • 102.00 to 103.00 °C. @ 760.00 mm Hg

    Flash points

    • 57 °F (NTP, 1992)
    • 57 °F (14 °C) (CLOSED CUP)

    Solubilities

    • 10 to 50 mg/mL at 72 °F (NTP, 1992)
    • Miscible in ethanol, ethyl ether; slightly soluble in carbon tetrachloride
    • In water, 1.5X10+4 mg/l @ 25 °C
    • 15 mg/mL at 25 °C
    • miscible with alcohol, ether; soluble 1 ml in 60 ml water

  • Synonyms

    • Methyl butyrate
    • 623-42-7
    • Methyl butanoate
    • Butanoic acid, methyl ester
    • METHYL N-BUTYRATE
    • Butyric acid, methyl ester
    • Methyl n-butanoate
    • Methyl-n-butyrate
    • FEMA No. 2693
    • Butyric acid methyl ester
    • Methyl butyrate (natural)
    • n-Butyric acid methyl ester
    • NSC 9380
    • HSDB 5721
    • Butanoic acid methyl ester
    • EINECS 210-792-1
    • UNII-CGX598508O
    • BRN 1740743
    • DTXSID5047083
    • AI3-06009
    • CGX598508O
    • NSC-9380
    • MFCD00009391
    • Methyl ester of butanoic acid
    • DTXCID3027083
    • CHEBI:88806
    • 4-02-00-00786 (Beilstein Handbook Reference)
    • WE(1:0/4:0)
    • BUTYRIC ACID METHYLESTER
    • UN1237
    • Methyl butyrate, 99%
    • methanol I ethyl acetate
    • methanol - ethyl acetate
    • methyl 3-methylpropionate
    • Butyric acid-methyl ester
    • METHYL-N-BUTANOATE
    • n-C3H7COOCH3
    • C04 FAME
    • SCHEMBL13685
    • METHYL BUTYRATE [MI]
    • WLN: 3VO1
    • CHEMBL15859
    • METHYL BUTYRATE [FCC]
    • METHYL BUTYRATE [FHFI]
    • Methyl butyrate, >=98%, FG
    • METHYL N-BUTYRATE [HSDB]
    • NSC9380
    • AAA62342
    • Methyl butyrate, analytical standard
    • Tox21_301821
    • LMFA07010528
    • N-BUTYRIC ACID, METHYL ESTER
    • AKOS008907317
    • MSK1802-1000H
    • UN 1237
    • Methyl butyrate, natural, >=98%, FG
    • NCGC00256040-01
    • CAS-623-42-7
    • LS-13072
    • DB-054136
    • B0763
    • NS00012861
    • EN300-70279
    • Methyl butyrate Solution in Hexane, 1000ug/mL
    • n-Butyric acid methyl ester [standard material]
    • Methyl butyrate [UN1237] [Flammable liquid]
    • Q420701
    • 5ADC8486-F8C0-4A7A-ACD5-2234D52DE6E0
    • Methyl butyrate, certified reference material, TraceCERT(R)
    • InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H
    • 210-792-1
1 3

Botanical

Name CAS Botanical Proportion
Myrtle berry (Italy) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Eucalyptus viminalis (Uruguay) Eucalyptus viminalis Labill., fam. Myrtaceae 0.5%
Eucalyptus botryoides (Uruguay) Eucalyptus botryoides Sm., fam. Myrtaceae 0.8%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.03%
Michelia alba flower headspace (China) Michelia alba DC., fam. Magnoliaceae 9.71%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.12%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.2%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 12.0%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.61%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.2%