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Benzyl Benzoate Details

: IUPAC Name
benzyl benzoate
:Chemical Class
Ester
:CAS Registry Number
120-51-4
:Description

:Fragrance Type
balsamic

Physical and Chemical properties

PUBCHEM ID2345
Molecular Weight (mg/mol)212.244
Molecular FormulaC14H12O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC Namebenzyl benzoate
Canonical SMILESO=C(OCc1ccccc1)c2ccccc2
PUBCHEM IUPAC INCHIKEYSESFRYSPDFLNCH-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.268
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.29264 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 120-51-4 ATF3 Homo sapiens benzyl benzoate results in increased expression of ATF3 mRNA increases^expression 27965148
2 120-51-4 ATF3 Homo sapiens benzyl benzoate results in increased expression of ATF3 mRNA increases^expression 27965148
3 120-51-4 ATF3 Homo sapiens benzyl benzoate results in increased expression of ATF3 mRNA increases^expression 27965148
4 120-51-4 ATF3 Homo sapiens benzyl benzoate results in increased expression of ATF3 mRNA increases^expression 27965148
5 120-51-4 CXCL8 Homo sapiens benzyl benzoate results in increased expression of CXCL8 mRNA increases^expression 27965148
6 120-51-4 CXCL8 Homo sapiens benzyl benzoate results in increased expression of CXCL8 mRNA increases^expression 27965148
7 120-51-4 CXCL8 Homo sapiens benzyl benzoate results in increased expression of CXCL8 mRNA increases^expression 27965148
8 120-51-4 CXCL8 Homo sapiens benzyl benzoate results in increased expression of CXCL8 mRNA increases^expression 27965148
9 120-51-4 ESR1 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR1 protein] affects^binding|decreases^reaction 19338011
10 120-51-4 ESR1 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR1 protein] affects^binding|decreases^reaction 19338011
11 120-51-4 ESR1 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR1 protein] affects^binding|decreases^reaction 19338011
12 120-51-4 ESR1 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR1 protein] affects^binding|decreases^reaction 19338011
13 120-51-4 ESR2 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR2 protein] affects^binding|decreases^reaction 19338011
14 120-51-4 ESR2 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR2 protein] affects^binding|decreases^reaction 19338011
15 120-51-4 ESR2 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR2 protein] affects^binding|decreases^reaction 19338011
16 120-51-4 ESR2 Homo sapiens benzyl benzoate inhibits the reaction [Estradiol binds to ESR2 protein] affects^binding|decreases^reaction 19338011
17 120-51-4 MAOA Homo sapiens benzyl benzoate results in decreased activity of MAOA protein decreases^activity 27270453
18 120-51-4 MAOA Homo sapiens benzyl benzoate results in decreased activity of MAOA protein decreases^activity 27270453
19 120-51-4 MAOA Homo sapiens benzyl benzoate results in decreased activity of MAOA protein decreases^activity 27270453
20 120-51-4 MAOA Homo sapiens benzyl benzoate results in decreased activity of MAOA protein decreases^activity 27270453
21 120-51-4 MAOB Homo sapiens benzyl benzoate results in decreased activity of MAOB protein decreases^activity 27270453
22 120-51-4 MAOB Homo sapiens benzyl benzoate results in decreased activity of MAOB protein decreases^activity 27270453
23 120-51-4 MAOB Homo sapiens benzyl benzoate results in decreased activity of MAOB protein decreases^activity 27270453
24 120-51-4 MAOB Homo sapiens benzyl benzoate results in decreased activity of MAOB protein decreases^activity 27270453
25 120-51-4 NEFH Rattus norvegicus benzyl benzoate affects the expression of NEFH mRNA affects^expression 22954530
26 120-51-4 NEFH Rattus norvegicus benzyl benzoate affects the expression of NEFH mRNA affects^expression 22954530
27 120-51-4 NEFH Rattus norvegicus benzyl benzoate affects the expression of NEFH mRNA affects^expression 22954530
28 120-51-4 NEFH Rattus norvegicus benzyl benzoate affects the expression of NEFH mRNA affects^expression 22954530
29 120-51-4 NR1I2.L Xenopus laevis benzyl benzoate analog binds to and results in increased activity of NR1I2.L protein affects^binding|increases^activity 12198127
30 120-51-4 NR1I2.L Xenopus laevis benzyl benzoate analog binds to and results in increased activity of NR1I2.L protein affects^binding|increases^activity 12198127
31 120-51-4 NR1I2.L Xenopus laevis benzyl benzoate analog binds to and results in increased activity of NR1I2.L protein affects^binding|increases^activity 12198127
32 120-51-4 NR1I2.L Xenopus laevis benzyl benzoate analog binds to and results in increased activity of NR1I2.L protein affects^binding|increases^activity 12198127
33 120-51-4 TFF1 Homo sapiens benzyl benzoate results in increased expression of TFF1 mRNA increases^expression 19338011
34 120-51-4 TFF1 Homo sapiens benzyl benzoate results in increased expression of TFF1 mRNA increases^expression 19338011
35 120-51-4 TFF1 Homo sapiens benzyl benzoate results in increased expression of TFF1 mRNA increases^expression 19338011
36 120-51-4 TFF1 Homo sapiens benzyl benzoate results in increased expression of TFF1 mRNA increases^expression 19338011
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 120-51-4 Benzyl Benzoate

Compound Image


2D Structure

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