2,6-Dimethyl-4-pyranone

HCID 13862CAS 1004-36-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(=O)cc(C)o1
InChIKey
VSYFZULSKMFUJJ-UHFFFAOYSA-N
Molecular formula
C7H8O2
Average molar mass
124.14 g/mol
Monoisotopic mass
124.0524295

Names & identifiers

Preferred name
2,6-Dimethyl-4-pyranone
IUPAC
2,6-dimethylpyran-4-one
English name
2,6-Dimethyl-4H-pyran-4-one
Molecular formula
C7H8O2
Molecular weight
124.14

Names & synonyms

2,6-Dimethyl-4H-pyran-4-one1004-36-02,6-Dimethyl-gamma-pyrone2,6-Dimethyl-4-pyrone2,6-Dimethyl-4-pyranone4H-PYRAN-4-ONE, 2,6-DIMETHYL-2,6-Dimethyl-.gamma.-pyroneNSC 8735NSC 48105CCRIS 3601V2D262MF0LBRN 0107418
Show more names
2,6-dimethyl-2,6-DiMethylgaMapyraoneAURORA KA-66322,6-Dimethyl-4H-pyra2,6-DIMETHYL-G-PYRONE2,6-Dimethyl-y-pyrone2,6-Dimethyl-γ-pyrone
AI3-05951NSC-8735EINECS 213-719-1NSC-48105DTXSID60744152,6-dimethyl-4H-pyran-4o-one5-17-09-00410 (Beilstein Handbook Reference)DIMETHYL-4-PYRONE, 2,6-

Database identifiers

CAS
1004-36-0
PubChem CID
13862
DTXSID
DTXSID6074415
ChEMBL
CHEMBL223295
UNII
V2D262MF0L
EC Number
213-719-1
Nikkaji
J37.329J

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity
LogP0.1

Physicochemical properties

Melting point
133 · 133-137 °C(lit.)
Boiling point
248 · 248-250 °C(lit.)
Density
0.9953 · 0.9953
refractive index
1.53 · 1.5300 (estimate)
Flash point
248 · 248-250°C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
UQ0780000
hs_code
29329995
risk_code
22
Signal word
Warning

Chemistry & industry

Applications

Uses2,6-Dimethyl-4-pyrone is used as a chemical and organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Uses2,6-Dimethyl-4H-pyran-4-one is used as a fragrance ingredient.

Upstream & downstream products

Downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

19 records
New reaction record

Linked notes

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