alpha-Methoxytropone

Modify Date: 2026-07-14 19:24:52

alpha-Methoxytropone Structure
alpha-Methoxytropone structure
Common Name alpha-Methoxytropone
CAS Number 2161-40-2 Molecular Weight 136.14800
Density 1.08g/cm3 Boiling Point 287ºC at 760 mmHg
Molecular Formula C8H8O2 Melting Point 132 °C
MSDS N/A Flash Point 141.4ºC

Summary: 2-methoxycyclohepta-2,4,6-trien-1-one, also known as alpha-Methoxytropone, has a molecular formula of C8H8O2 and a molecular weight of 136.14800. It appears as white to orange to green powder or crystals with a melting point of 132°C and a density of 1.08g/cm³. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2-methoxycyclohepta-2,4,6-trien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.08g/cm3
Boiling Point 287ºC at 760 mmHg
Melting Point 132 °C
Molecular Formula C8H8O2
Molecular Weight 136.14800
Flash Point 141.4ºC
Exact Mass 136.05200
PSA 26.30000
LogP 1.05540
Vapour Pressure 0.00255mmHg at 25°C
Index of Refraction 1.524
InChIKey IQYJSKNHDZZDGA-UHFFFAOYSA-N
SMILES COc1cccccc1=O

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4606000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-methoxy-
CAS REGISTRY NUMBER :
2161-40-2
BEILSTEIN REFERENCE NO. :
2041321
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-O2
MOLECULAR WEIGHT :
136.16

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 :
176 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 92,19,1972

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2914509090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2914509090
Summary HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2-Methoxytropone
2-C-Methoxytropone
2-methoxy-cycloheptatrienone
2-methoxy-2,4,6-cycloheptatrien-1-one
2-Methoxytropolone
2-methoxy-cyclohepta-2,4,6-trienone
Tropolone methyl ether
2,4,6-CYCLOHEPTATRIEN-1-ONE,2-METHOXY

 alpha-Methoxytropone | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: InChIKey of 2-methoxycyclohepta-2,4,6-trien-1-one is IQYJSKNHDZZDGA-UHFFFAOYSA-N.
Q: What is the CAS number of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: CAS number of 2-methoxycyclohepta-2,4,6-trien-1-one is 2161-40-2.
Q: What is the molecular weight of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: Molecular weight of 2-methoxycyclohepta-2,4,6-trien-1-one is 136.14800.
Q: What is the SMILES notation of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: SMILES notation of 2-methoxycyclohepta-2,4,6-trien-1-one is COc1cccccc1=O.
Q: What is the LogP of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: LogP of 2-methoxycyclohepta-2,4,6-trien-1-one is 1.05540.
Q: What is the melting point of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: Melting point of 2-methoxycyclohepta-2,4,6-trien-1-one is 132 °C.
Q: What English synonyms does 2-methoxycyclohepta-2,4,6-trien-1-one have?
A: English synonyms of 2-methoxycyclohepta-2,4,6-trien-1-one: 2-Methoxytropone, 2-C-Methoxytropone, 2-methoxy-cycloheptatrienone, 2-methoxy-2,4,6-cycloheptatrien-1-one, 2-Methoxytropolone, 2-methoxy-cyclohepta-2,4,6-trienone, Tropolone methyl ether, 2,4,6-CYCLOHEPTATRIEN-1-ONE,2-METHOXY.
Q: What is the boiling point of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: Boiling point of 2-methoxycyclohepta-2,4,6-trien-1-one is 287ºC at 760 mmHg.
Q: What is the molecular formula of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: Molecular formula of 2-methoxycyclohepta-2,4,6-trien-1-one is C8H8O2.
Q: What is the English name of 2-methoxycyclohepta-2,4,6-trien-1-one?
A: The English name of 2-methoxycyclohepta-2,4,6-trien-1-one is 2-methoxycyclohepta-2,4,6-trien-1-one.

 alpha-Methoxytroponefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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