2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester

HCID 170485
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
41264-06-6
Standard SMILES
COC(=O)c1c(C)cc(=O)oc1C
InChIKey
VLYBFLKIZIACQH-UHFFFAOYSA-N
Molecular formula
C9H10O4
Average molar mass
182.17 g/mol
Monoisotopic mass
182.0579088

Names & identifiers

Preferred name
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
IUPAC
methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
English name
Methyl isodehydroacetate
Molecular formula
C9H10O4
Molecular weight
182.17

Names & synonyms

41264-06-6Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl esterEINECS 255-283-5DTXSID4068292RefChem:484413DTXCID7039888255-283-5Methyl isodehydroacetateMethyl isodehydracetatemethyl 2,4-dimethyl-6-oxopyran-3-carboxylateMFCD00006642
Show more names
METHYL ISODEHYDROACETATE,97%Methyl 4,6-dimethyl-2-oxo-2H-p2,4-dimethyl-6-oxo-3-pyrancarboxylic acid methyl ester
655WKG5F95MethylisodehydroacetateMethyl isodehydrocetatstarbld0019183UNII-655WKG5F95SCHEMBL19749524,6-dimethyl-2-oxo-2h-pyran-5-carboxylicacimethylesterisodehydroacetic acid methyl ester

Database identifiers

CAS
41264-06-6
PubChem CID
170485
DTXSID
DTXSID4068292
UNII
655WKG5F95
EC Number
255-283-5
Nikkaji
J320.036A

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

Physical DescriptionDry Powder; Large Crystals

Physicochemical properties

Melting point
68 · 68-70 °C(lit.)
Boiling point
167 °C14 · 167 °C14 mm Hg(lit.)
Density
1.1634 · 1.1634 (rough estimate)
refractive index
1.4209 · 1.4209 (estimate)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23888

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
29322985
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester: ACTIVE

Applications

UsesMethyl Isodehydracetate is used used in the preparation of insect growth regulators with juvenile hormone activity.

Suppliers45 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…