4-Methyl-1,3-benzodioxole

HCID 88560CAS 20487-10-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc2c1OCO2
InChIKey
INHYNOZJAVXMJL-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.0524295

Names & identifiers

Preferred name
4-Methyl-1,3-benzodioxole
IUPAC
4-methyl-1,3-benzodioxole
English name
4-methyl-1,3-benzodioxole
Molecular formula
C8H8O2
Molecular weight
136.15

Names & synonyms

4-Methyl-1,3-benzodioxole20487-10-9EINECS 243-849-4DTXSID60174458RefChem:99691DTXCID9096949243-849-44-Methylbenzo[d][1,3]dioxoleMFCD18967734Methylendioxytoluol4-METHYL-2H-1,3-BENZODIOXOLE4-methyl-1.3-benzodioxole
Show more names
MZ42K7X4YHSCHEMBL835744-Methyl -1,3-benzodioxoleSCHEMBL4232891,3-Benzodioxole, 4-methyl-SCHEMBL1145483SCHEMBL5872023SCHEMBL6349570

Database identifiers

CAS
20487-10-9
PubChem CID
88560
DTXSID
DTXSID60174458
UNII
MZ42K7X4YH
EC Number
243-849-4
Nikkaji
J280.606A

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Boiling point
60 °C · 60 °C(Press: 3 Torr)
Density
1.164 · 1.164±0.06 g/cm3(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers7 total

湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
天津佶品佳化工科技有限公司18622448868 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]

Related reactions

16 records
New reaction record

Linked notes

Loading…