1,2-Benzenediol,3-pentadecyl

Modify Date: 2025-08-19 19:37:12

1,2-Benzenediol,3-pentadecyl Structure
1,2-Benzenediol,3-pentadecyl structure
Common Name 1,2-Benzenediol,3-pentadecyl
CAS Number 492-89-7 Molecular Weight 320.50900
Density 0.96g/cm3 Boiling Point 445.6ºC at 760mmHg
Molecular Formula C21H36O2 Melting Point N/A
MSDS N/A Flash Point 191.7ºC

 Names

Name 3-pentadecylcatechol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.96g/cm3
Boiling Point 445.6ºC at 760mmHg
Molecular Formula C21H36O2
Molecular Weight 320.50900
Flash Point 191.7ºC
Exact Mass 320.27200
PSA 40.46000
LogP 6.73150
Vapour Pressure 1.49E-08mmHg at 25°C
Index of Refraction 1.509
InChIKey DQTMTQZSOJMZSF-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCc1cccc(O)c1O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX2275000
CHEMICAL NAME :
Pyrocatechol, 3-pentadecyl-
CAS REGISTRY NUMBER :
492-89-7
BEILSTEIN REFERENCE NO. :
1885390
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H36-O2
MOLECULAR WEIGHT :
320.57
WISWESSER LINE NOTATION :
QR BQ C15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Synthetic Route

 1,2-Benzenediol,3-pentadecylBioassay

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Name: Concentration required for its inhibitory activity against Proteus mirabilis C889 cla...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL653637
Name: Concentration required for its inhibitory activity against Staphylococcus aureus Russ...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL650467
Name: Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1)...
Source: ChEMBL
Target: Beta-lactamase TEM
External Id: CHEMBL856067
Name: Concentration required for its inhibitory activity against Escherichia coli K12(OXA1)...
Source: ChEMBL
Target: Beta-lactamase OXA-1
External Id: CHEMBL651418
Name: Concentration required for its inhibitory activity against Pseudomonas aeruginosa cla...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL655037
Name: Concentration required for its inhibitory activity against Enterobacter cloacae P99 c...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL652628
Name: Concentration required for its inhibitory activity against Escherichia coli K12(PSE4)...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL651421
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 Synonyms

Pyrocatechol,3-pentadecyl
Hydrourushiol
1,2-dihydroxy-3-pentadecylbenzene
3-Pentadecacatechol
Dihydrorhengol
3-pentadecylbenzene-1,2-diol
3-Pentadecyl-brenzcatechin
3-pentadecyl-pyrocatechol
3-n-Pentadecylpyrocatechol
Hydroureshiol
3-Pentadecylcatechol
Tetrahydrourushiol
3-PDCDihydrorhengol
3-n-Pentadecylcatechol
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