benzyl acetate (Q424223)

Gene Ontology release 2020-05-02

Rhea release 113

acetyl-coenzyme A:acetyl alcohol acetyltransferase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

structure representation with labelled terminal carbon atoms

1 February 2021

chemical structure

Benzyl acetate 200.svg
183 × 99; 6 KB

criterion used

0 references

Benzyl acetate-structure.svg
587 × 374; 7 KB

criterion used

structure representation with unlabelled terminal carbon atoms

0 references

mass

150.06807956 dalton

1 reference

inferred from InChI

chemical formula

C₉H₁₀O₂

1 reference

CRC Handbook of Chemistry and Physics (92nd edition)

page(s)

3-42

canonical SMILES

c1ccccc1COC(=O)C

1 reference

English Wikipedia

melting point

−51.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−51.3 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

213 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

1

1

0

no value

1 reference

Volatiles Released by a Streptomyces Species Isolated from the North Sea

1 reference

Jasminum grandiflorum

1 reference

Gas chromatographic analysis of absolutes and volatile oil isolated from Turkish and foreign jasmine concretes

Narcissus tazetta

1 reference

Chemical Investigation and Cytologic Localization of Essential Oils in the Flowers of Narcissus tazetta

Vitis rotundifolia

2 references

Volatile constituents of the muscadine grape (Vitis rotundifolia)

Identification of the Volatile Constituents from Scuppernong Berries (Vitis rotundifolia)

Daphne odora

1 reference

Volatile components of zinchoge flower (Daphne odora Thunb.).

Spathiphyllum cannifolium

1 reference

New male fruitfly attractants from spadix of Spathiphyllum cannaefolium (Araceae)

1 reference

1 reference

Inflorescence odour of Senecio articulatus: Temporal variation in isovaleric acid levels

Hesperis matronalis

1 reference

Asynchronous rhythms in the emission of volatiles from Hesperis matronalis flowers

Tanacetum parthenium

1 reference

Airborne Compositae dermatitis: monoterpenes and no parthenolide are released from flowering Tanacetum parthenium (feverfew) plants

Mandragora autumnalis

2 references

Composition of the Essential Oil and the Headspace Sample ofMandragora autumnalisBertol. Fruits

Substances isolated from Mandragora species

Antidesma laciniatum

1 reference

Composition and anti-plasmodial activities of essential oils from some Cameroonian medicinal plants

Cananga odorata

1 reference

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

Cucumis melo

1 reference

Identification of Additional Volatile Compounds from Cbntaloupe

Spondias mombin

1 reference

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

Vaccinium vitis-idaea

2 references

The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.

The Aroma of Cranberries. I. Vaccinium vitis-idaea L..

Cannabis sativa

1 reference

Constituents of Cannabis sativa L. XVII. A review of the natural constituents

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Nicotiana tabacum

2 references

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition

tomato

1 reference

Determination of Volatile Organic Compounds in Andean Tomato Landraces by Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry

clove

1 reference

The chemical composition and biological activity of clove essential oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): a short review

Mimusops elengi

1 reference

Volatile Components of Mimusops elengi L. Flowers

Mandragora officinarum

2 references

Composition of the Essential Oil and the Headspace Sample ofMandragora autumnalisBertol. Fruits

Substances isolated from Mandragora species

Malus pumila

1 reference

Headspace and essential oil analysis of apple flowers

Passiflora edulis

1 reference

The chemistry of food flavour. I. Volatile constituents of passionfruit, Passiflora edulis

Malus domestica

1 reference

Headspace and essential oil analysis of apple flowers

Matsutake

1 reference

Volatile flavor compounds of Matsutake-Tricholomam atsutake (Ito et Imai) Sing.

1 reference

Benzyl acetate

0 references

Identifiers

InChI

InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

1 reference

PubChem

2 references

14 February 2018

ChEBI release 2020-09-01

CAS Registry Number

140-11-4

3 references

CRC Handbook of Chemistry and Physics (92nd edition)

page(s)

3-42

14 February 2018

https://commonchemistry.cas.org/detail?cas_rn=140-11-4

9 April 2021

ChemSpider ID

13850405

1 reference

Portuguese Wikipedia

PubChem CID

8785

0 references

Reaxys registry number

1908121

0 references

ChEBI ID

52051

mapping relation type

exact match

2 references

English Wikipedia

International Chemical Identifier

InChI

InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

SureChEMBL ID

SCHEMBL43745

2 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001315

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP011500

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006899

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004946

0 references

SPLASH

splash10-052f-9500000000-841f27b9e65e2ce89c1a

0 references

splash10-052f-9400000000-623c61f61fdb6da2b8d5

0 references

splash10-0006-9200000000-25dd8e6faa7ec0169f6b

0 references

splash10-052f-9400000000-2a4e82268df5cfb3e479

0 references

NMRShiftDB structure ID

20000362

1 reference

Hazardous Substances Data Bank

0 references

0 references

0 references

1 reference

28 October 2019

BENZYL ACETATE (English)

10 May 2021

2 references

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

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard ID

14 February 2018

100.004.909

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.909

OSHA Occupational Chemical Database ID

27 December 2018

title

Benzyl acetate (English)

quotation

CAS no.: 140-11-4 (English)

258

0 references

FL number

09.014

1 reference

quotation

CAS no.: 140-11-4 (English)

23 January 2021

09.014

1 reference

28 December 2019

BENZYL ACETATE (English)

quotation

CAS no.: 140-11-4 (English)

1 reference

1 reference

Human Metabolome Database ID

14 February 2018

HMDB0031310

2 references

KNApSAcK ID

C00035535

2 references

2 references

14 February 2018

Natural Product Atlas ID

NPA015851

2 references

1 reference

26 February 2018

0 references

1 reference

California Proposition 65 list of chemicals

0 references

1 reference

https://oehha.ca.gov/chemicals/benzyl-acetate

19 November 2019

reference URL

1 reference

28 October 2013

0 references

23

1 reference