Methyl Benzoate
Plain text
Chemfused. (2026). Methyl Benzoate, CAS 93-58-3. Retrieved 2026-04-28 from https://chemfused.com/cas/93-58-3
BibTeX
@misc{chemfused-cas-93583,
title = {Methyl Benzoate, CAS 93-58-3},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/93-58-3},
urldate = {2026-04-28}
}
Methyl Benzoate (CAS 93-58-3) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.15 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is Methyl Benzoate?
- Molecular Formula
- C8H8O2
- Molecular Weight
- 136.15 g/mol
- Melting Point
- 10 °F (NTP, 1992)
- Boiling Point
- 388 to 390 °F at 760 mmHg (NTP, 1992)
- Density
- 1.0888 at 68 °F (USCG, 1999) - Denser than water; will sink
- Solubility
- less than 1 mg/mL at 72.5 °F (NTP, 1992)
Description
Methyl benzoate is a benzoate ester obtained by condensation of benzoic acid and methanol. It has a role as an insect attractant and a metabolite. It is a methyl ester and a benzoate ester.
Structure Identifiers
- SMILES
- COC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
- InChIKey
- QPJVMBTYPHYUOC-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 136.0524 Da
- XLogP
- 2.10
- TPSA
- 26.3 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 2
- Complexity
- 114
- Formal Charge
- 0
Experimental
Measured physical and chemical properties from experimental literature.
- Color / Form
- Colorless, transparent liquid
- Odor
- Fragrant odor
- Taste
- FRUITY, NUTTY, ... WITH CHERRY TASTE
- Vapor Pressure
- 1 mmHg at 102 °F ; 20 mmHg at 197.2 °F; 760 mmHg at 391.1 °F (NTP, 1992)
- LogP
- log Kow = 2.12
- Decomposition
- When heated to decomposition, it emites fumes containing CO and CO2.
- Other
- ACID VALUE: NOT MORE THAN 1
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H227 Combustible liquid
- H302 Harmful if swallowed
Precautionary Statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P264 Wash thoroughly after handling
- P270 Do not eat, drink or smoke when using this product
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P330 Rinse mouth
- P370+P378 In case of fire: Use appropriate media for extinction
- P403 Store in a well-ventilated place
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (93)
- B0074
- C20645
- UN2938
- 93-58-3
- AT34734
- Clorius
- FM36584
- NSC9394
- Q417328
- UN 2938
- BP-31073
- CLORIUS-
- NSC 9394
- NSC-9394
- VS-02533
- 202-259-7
- AI3-00525
- BBL010502
- HSDB 5283
- MSK000770
- SBB058212
- STK021498
- WLN: 1OVR
- Z19825577
- 6618K1VJ9T
- CCRIS 5851
- EBC-153108
- F0001-2239
- NS00012849
- Oxidate le
- ST51015549
- CAS-93-58-3
- CHEBI:72775
- CHEMBL16435
- EN300-15500
- SCHEMBL7200
- DTXCID405572
- EC 202-259-7
- MFCD00008421
- MLS001050185
- RefChem:6019
- SCHEMBL19833
- SCHEMBL51251
- SMR001216584
- Tox21_201832
- Tox21_303198
- AKOS000120640
- DTXSID5025572
- FEMA No. 2683
- SCHEMBL129118
Show 43 more names Show fewer names
- SCHEMBL214761
- SCHEMBL905531
- Methylbenzoate
- MSK000770-100M
- SCHEMBL1388030
- SCHEMBL4790973
- SCHEMBL6364427
- SCHEMBL9119178
- METHYL BENZOATE
- MSK000770-1000M
- NCGC00091665-01
- NCGC00091665-02
- NCGC00256939-01
- NCGC00259381-01
- SCHEMBL10330498
- SCHEMBL11727225
- UNII-6618K1VJ9T
- EINECS 202-259-7
- Essence of niobe
- METHYL BENZOATE [MI]
- Methyl benzoate, 99%
- METHYL BENZOATE [FCC]
- METHYL BENZOATE [FHFI]
- METHYL BENZOATE [HSDB]
- benzoic acid methylester
- methyloxycarbonylbenzene
- benzoic acid methyl ester
- Benzoic acid-methyl ester
- Methyl benzenecarboxylate
- Methyl benzoate (natural)
- Benzoic acid, methyl ester
- Methyl benzoate, >=99% (GC)
- Methyl ester of benzoic acid
- Methylester kyseliny benzoove
- Methyl benzoate, >=98%, FCC, FG
- Methyl benzoate, analytical standard
- Methyl benzoate, for synthesis, 98.0%
- Methylester kyseliny benzoove [Czech]
- Methyl benzoate, natural, >=98%, FCC, FG
- Methyl benzoate Solution in Methanol, 100ug/mL
- InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H
- Methyl benzoate [UN2938] [Keep away from food]
- Methyl benzoate Solution in Methanol, 1000ug/mL
Frequently asked questions
What is the CAS number of Methyl Benzoate?
The CAS Registry Number for Methyl Benzoate is 93-58-3.
What is the molecular formula of Methyl Benzoate?
Methyl Benzoate has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol.
What is the SMILES notation for Methyl Benzoate?
The SMILES notation for Methyl Benzoate is COC(=O)C1=CC=CC=C1.
What is the melting point of Methyl Benzoate?
The melting point of Methyl Benzoate is 10 °F (NTP, 1992).
What is the boiling point of Methyl Benzoate?
The boiling point of Methyl Benzoate is 388 to 390 °F at 760 mmHg (NTP, 1992).
What is the density of Methyl Benzoate?
The density of Methyl Benzoate is 1.0888 at 68 °F (USCG, 1999) - Denser than water; will sink.
How soluble is Methyl Benzoate?
Solubility of Methyl Benzoate: less than 1 mg/mL at 72.5 °F (NTP, 1992).
Is Methyl Benzoate hazardous?
Methyl Benzoate carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for Methyl Benzoate?
Methyl Benzoate is also known as 202-259-7, 6618K1VJ9T, 93-58-3, AI3-00525, AKOS000120640.
Data sourced from PubChem CID 7150. Last updated .
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