Butyl 3,4,5-trihydroxybenzoate

Modify Date: 2026-07-01 14:55:08

Butyl 3,4,5-trihydroxybenzoate Structure
Butyl 3,4,5-trihydroxybenzoate structure
Common Name Butyl 3,4,5-trihydroxybenzoate
CAS Number 1083-41-6 Molecular Weight 226.22600
Density 1.314 g/cm3 Boiling Point 452.7ºC at 760 mmHg
Molecular Formula C11H14O5 Melting Point 144°C
MSDS N/A Flash Point 179ºC

 Names

Name Butyl Gallate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.314 g/cm3
Boiling Point 452.7ºC at 760 mmHg
Melting Point 144°C
Molecular Formula C11H14O5
Molecular Weight 226.22600
Flash Point 179ºC
Exact Mass 226.08400
PSA 86.99000
LogP 1.76030
Vapour Pressure 8.22E-09mmHg at 25°C
Index of Refraction 1.583
InChIKey XOPOEBVTQYAOSV-UHFFFAOYSA-N
SMILES CCCCOC(=O)c1cc(O)c(O)c(O)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LW7600000
CHEMICAL NAME :
Gallic acid, butyl ester
CAS REGISTRY NUMBER :
1083-41-6
BEILSTEIN REFERENCE NO. :
3032709
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
860 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,669,1986

 Safety Information

Hazard Codes Xn
RTECS LW7600000
HS Code 2918290000

 Synthetic Route

~73%

Butyl 3,4,5-trihydroxybenzoate Structure

Butyl 3,4,5-tri...

CAS#:1083-41-6

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Literature: Savi, Luciane A.; Leal, Paulo C.; Vieira, Tiago O.; Rosso, Rober; Nunes, Ricardo J.; Yunes, Rosendo A.; Creczynski-Pasa, Tania B.; Barardi, Celia R. M.; Simoes, Claudia Maria Oliveira Arzneimittel-Forschung/Drug Research, 2005 , vol. 55, # 1 p. 66 - 75

 Customs

HS Code 2918290000
Summary HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

 Butyl 3,4,5-trihydroxybenzoateBioassay

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Name: Antiviral activity against feline herpesvirus
Source: ChEMBL
Target: Felid alphaherpesvirus 1
External Id: CHEMBL3412331
Name: Antiviral activity against chikungunya virus
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3412332
Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
Name: Antiviral activity against vesicular stomatitis virus
Source: ChEMBL
Target: Vesicular stomatitis virus
External Id: CHEMBL3412321
Name: Antiviral activity against human coxsackievirus B4
Source: ChEMBL
Target: Coxsackievirus B4
External Id: CHEMBL3412322
Name: Antiviral activity against vaccinia virus
Source: ChEMBL
Target: Vaccinia virus
External Id: CHEMBL3412320
Name: Antiviral activity against reovirus
Source: ChEMBL
Target: Reovirus sp.
External Id: CHEMBL3412325
Name: Antiviral activity against sindbis virus
Source: ChEMBL
Target: Sindbis virus
External Id: CHEMBL3412326
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 Synonyms

EINECS 214-107-7
butyl 3,4,5-trihydroxybenzoate
Gallic Acid Butyl Ester
BUTYL GALLATE
MFCD00016432
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