3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID

Names

[ Name ]:
3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID

[Synonym ]:
4H-Pyran-2-carboxylic acid,5,6-dihydro-6,6-dimethyl-4-oxo
5,6-Dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid
EINECS 279-596-1
3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyrane-6-carboxylic acid
2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
6,6-Dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carbonsaeure
Acide dimethyl-6,6 dihydro-5,6 pyrone-4 carboxylique-2 [French]
5,6-dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-ylcarboxylic acid
acide dimethyl-6,6 dihydro-5,6 pyrone-4 carboxylique-2
6,6-dimethyl-4-oxo-5H-6-hydropyran-2-carboxylic acid
6,6-dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carboxylic acid
MFCD00006575
2H-Pyran-6-carboxylic acid,3,4-dihydro-2,2-dimethyl-4-oxo

Chemical & Physical Properties

[ Density]:
1.1456 (rough estimate)

[ Boiling Point ]:
259ºC at 760 mmHg

[ Melting Point ]:
170ºC (dec.)(lit.)

[ Molecular Formula ]:
C₈H₁₀O₄

[ Molecular Weight ]:
170.16300

[ Flash Point ]:
102.4ºC

[ Exact Mass ]:
170.05800

[ PSA ]:
63.60000

[ LogP ]:
0.72290

[ Index of Refraction ]:
1.4425 (estimate)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UP6990000

CHEMICAL NAME :: 4H-Pyran-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-4-oxo-

CAS REGISTRY NUMBER :: 80866-93-9

BEILSTEIN REFERENCE NO. :: 0121772

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H10-O4

MOLECULAR WEIGHT :: 170.18

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 :: 595 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 42,145,1987

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
22

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
3

[ RTECS ]:
UP6990000

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%