methyl benzoate (Q417328)

imported from Wikimedia project

1 February 2021

chemical structure

Methylbenzoate.svg
620 × 423; 6 KB

1 reference

German Wikipedia

mass

136.052 dalton

1 reference

METHYL BENZOATE (English)

7 October 2016

chemical formula

C₈H₈O₂

1 reference

METHYL BENZOATE (English)

19 November 2016

canonical SMILES

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

1 reference

METHYL BENZOATE (English)

19 November 2016

ionization energy

9.32 electronvolt

series ordinal

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

melting point

−12.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−15 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

199 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

0

2

0

no value

1 reference

imported from Wikimedia project

2 references

Studies on the Volatile Compounds of Camellia Flowers

Volatile Compounds from Flowers

Paeonia anomala

1 reference

An investigation of the essential oil of the roots ofPaeonia anomala

rooibos

1 reference

Volatile components of Rooibos tea (Aspalathus linearis)

Chinese peony

2 references

"Essential oil constituents of \"PAEONIAE RADIX\" Peaonia lactiflora Pall. (P. albilora Pall.)."

Volatile constituents of peony flowers

Vitis rotundifolia

1 reference

Volatile constituents of the muscadine grape (Vitis rotundifolia)

Myrtus communis L.

1 reference

Gas chromatographic—mass spectrometric investigations of the volatile components of myrtle berries (Myrtus communis L.)

Artemisia sericea

1 reference

Constituents of the Essential Oil of Artemisia coerulescens

starfruit

1 reference

Volatile constituents of carambola (Averrhoa carambola L.)

Cimicifuga simplex

1 reference

Floral fragrances in Cimicifuga: Chemical polymorphism and incipient speciation in Cimicifuga simplex

Salvinia molesta

1 reference

Phenolic and other constituents of fresh water fern Salvinia molesta

Solanum stuckertii

1 reference

Volatile Constituents from the Flowers ofSolanum stuckertiiandS. incisum

Solanum incisum

1 reference

Volatile Constituents from the Flowers ofSolanum stuckertiiandS. incisum

Plumeria rubra

1 reference

Volatile components of plumeria flowers. Part 2.1 Plumeria rubra L. cv. ‘Irma Bryan’

Actinidia chinensis

2 references

Volatile constituents of kiwi fruit (Actinidia chinensis Planch.)

Volatile aroma constituents of kiwifruit

Spondias mombin

2 references

Volatiles of the Jobo Fruit (Spondias mombinL.)

Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)

Polygala senega

1 reference

Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots

Neofinetia falcata

1 reference

Headspace Constituents of Flowers of Neofinetia Falcata

Lepidium meyenii

1 reference

Composition of the essential oil of Lepidium meyenii (Walp).

clove

1 reference

Volatile components of clove essential oil (Eugenia caryophyllus SPRENG): Neutral fraction.

Picea abies

1 reference

Odoriferous compounds from the flowers of the conifers Picea abies, pinus sylvestris and Larix sibirica

Cananga odorata

1 reference

Composition of the essential oil of Ylang-Ylang (Cananga odorata Hook Fil. et Thomson forma genuina) from Madagascar

Aronia melanocarpa

1 reference

Analysis of the volatile constituents of black chokeberry (Aronia melanocarpa Ell.)

Chaerophyllum bulbosum

1 reference

Essential oil of turnip-root chervil

Lonicera japonica

1 reference

Volatile Constituents from the Flowers of Japanese Honeysuckle (Lonicera japonica)

Nicotiana bonariensis

1 reference

Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes

Nicotiana cavicola

1 reference

Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes

Phellinus tremulae

1 reference

2-Carbomethoxyoxepin: 1-carbomethoxybenzene 1,2-oxide. A metabolite of Phellinus tremulae.

Trichoderma koningii

2 references

Studies on Metabolites of Mycoparasitic Fungi. III. New Sesquiterpene Alcohol from Trichoderma koningii.

Studies on metabolites of mycoparasitic fungi. IV. Minor peptaibols of Trichoderma koningii

Vaccinium angustifolium

1 reference

Volatiles of wild blueberry, Vaccinium angustifolium: possible attractants for the blueberry maggot fruit fly, Rhagoletis mendax

Capsicum annuum var. annuum

1 reference

Chemical assessment and antioxidant capacity of pepper (Capsicum annuum L.) seeds

Anomala albopilosa

1 reference

Scarab beetleAnomala albopilosa albopilosa utilizes a more complex sex pheromone system than a similar speciesA. cuprea

Buddleja crispa

1 reference

Enzymes Inhibitory Constituents From Buddleja Crispa

Petunia axillaris

1 reference

Metabolic regulation of floral scent in Petunia axillaris lines: biosynthetic relationship between dihydroconiferyl acetate and iso-eugenol

Vaccinium macrocarpon

1 reference

The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.

Nymphaea lasiophylla

1 reference

The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Prunus avium

1 reference

Free and glycosidically bound aroma compounds in cherry (Prunus avium L.).

Carica papaya

3 references

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Headspace examination of volatile emissions from ripening papaya (Carica papaya L., Solo variety)

Volatile components of papaya (Carica papaya L., Solo variety)

Garcinia dulcis

1 reference

Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba

Arabidopsis thaliana

1 reference

Overexpression of salicylic acid carboxyl methyltransferase reduces salicylic acid-mediated pathogen resistance in Arabidopsis thaliana.

Brassica rapa

3 references

The molecular bases of floral scent evolution under artificial selection: insights from a transcriptome analysis in Brassica rapa.

Heritability of floral volatiles and pleiotropic responses to artificial selection in Brassica rapa.

The effects of becoming taller: direct and pleiotropic effects of artificial selection on plant height in Brassica rapa.

Murraya paniculata

1 reference

Composition of essential oil, concrete, absolute, wax and headspace volatiles ofMurrarya paniculata (Linn.) Jack flowers

Nicotiana tabacum

1 reference

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

Streptomyces antioxidans

1 reference

Streptomyces antioxidans sp. nov., a Novel Mangrove Soil Actinobacterium with Antioxidative and Neuroprotective Potentials

Mimusops elengi

1 reference

Volatile Components of Mimusops elengi L. Flowers

Actaea simplex

1 reference

Floral fragrances in Cimicifuga: Chemical polymorphism and incipient speciation in Cimicifuga simplex

Actaea japonica

1 reference

Floral fragrances in Cimicifuga: Chemical polymorphism and incipient speciation in Cimicifuga simplex

Feijoa sellowiana

1 reference

Volatile flavour constituents in the skin oil from Feijoa sellowiana

Acca sellowiana

1 reference

Volatile flavour constituents in the skin oil from Feijoa sellowiana

Artemisia ammaniana

1 reference

Constituents of the Essential Oil of Artemisia coerulescens

Commons category

Methyl benzoate

0 references

Identifiers

InChI

InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3

1 reference

METHYL BENZOATE (English)

QPJVMBTYPHYUOC-UHFFFAOYSA-N

19 November 2016

InChIKey

2 references

METHYL BENZOATE (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

93-58-3

2 references

methyl benzoate (English)

QPJVMBTYPHYUOC-UHFFFAOYSA-N

19 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=93-58-3

1 reference

methylbenzoate (English)

19 November 2016

1 reference

METHYL BENZOATE (English)

19 November 2016

Reaxys registry number

1072099

1 reference

methyl benzoate (English)

7 October 2016

ChEBI ID

72775

mapping relation type

1 reference

METHYL BENZOATE (English)

19 November 2016

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP000036

METHYL BENZOATE (English)

19 November 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP000304

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP002199

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP003139

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005906

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005969

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004945

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008481

0 references

SPLASH

splash10-0a6r-8900000000-6fca5a5a67e554be1310

0 references

splash10-0a6r-6900000000-e50a4550fe1c8b263d81

0 references

splash10-0a4i-5900000000-4dfb5ac01f5d5f7d5ce7

0 references

splash10-056r-9700000000-798ac6947aeb7428e12c

0 references

splash10-0a4i-2900000000-158c47203ae5a78de7f1

0 references

splash10-0a4r-2900000000-0d27c93c06f2d27bed8a

0 references

splash10-0a6r-9800000000-898ce08cbfefd77e3d38

0 references

splash10-0a6r-8900000000-5d1c26e3ea8cfe4bbf7a

0 references

splash10-0a6r-9800000000-bfd616d7b7e936cf8967

0 references

0 references

0 references

DH3850000

1 reference

imported from Wikimedia project

0 references

1 reference

Hazardous Substances Data Bank

28 October 2019

METHYL BENZOATE (English)

10 May 2021

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

202-259-7

1 reference

methyl benzoate (English)

ECHA Substance Infocard ID

19 November 2016

100.002.055

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.055

27 December 2018

AICS Chemical ID (BEING DELETED)

Methyl benzoate (English)

quotation

CAS no.: 93-58-3 (English)

FL number

09.725

1 reference

quotation

CAS no.: 93-58-3 (English)

23 January 2021

09.725

1 reference

28 December 2019

METHYL BENZOATE (English)

quotation

CAS no.: 93-58-3 (English)

1 reference

0 references

1 reference

methyl benzoate (English)

Human Metabolome Database ID

19 November 2016

0 references

1 reference

methyl benzoate (English)

19 November 2016

0 references

1 reference

28 October 2013

0 references

851

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)