8-[(cis-4-Methylcyclohexyl)oxy]caffeine

Modify Date: 2025-09-17 20:12:38

8-[(cis-4-Methylcyclohexyl)oxy]caffeine Structure
8-[(cis-4-Methylcyclohexyl)oxy]caffeine structure
Common Name 8-[(cis-4-Methylcyclohexyl)oxy]caffeine
CAS Number 73747-37-2 Molecular Weight 306.36000
Density 1.37g/cm3 Boiling Point 474ºC at 760 mmHg
Molecular Formula C15H22N4O3 Melting Point N/A
MSDS N/A Flash Point 240.5ºC

 Names

Name 1,3,7-trimethyl-8-(4-methylcyclohexyl)oxypurine-2,6-dione

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 474ºC at 760 mmHg
Molecular Formula C15H22N4O3
Molecular Weight 306.36000
Flash Point 240.5ºC
Exact Mass 306.16900
PSA 71.05000
LogP 0.92820
Index of Refraction 1.648
InChIKey CTXYKWGQHYADKR-UHFFFAOYSA-N
SMILES CC1CCC(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6585000
CHEMICAL NAME :
Caffeine, 8-((cis-4-methylcyclohexyl)oxy)-
CAS REGISTRY NUMBER :
73747-37-2
LAST UPDATED :
197903
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-N4-O3
MOLECULAR WEIGHT :
306.41
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H1 CO- AL6TJ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06885
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