2,3-Dimethoxy-5-methylphenol

HCID 70782
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Basic information

CAS
1128-32-1
Standard SMILES
COc1cc(C)cc(O)c1OC
InChIKey
XBGHSBRNXBJICG-UHFFFAOYSA-N
Molecular formula
C9H12O3
Average molar mass
168.19 g/mol
Monoisotopic mass
168.07864424

Names & identifiers

Preferred name
2,3-Dimethoxy-5-methylphenol
IUPAC
2,3-dimethoxy-5-methylphenol
English name
4,5-DIMETHOXY-3-HYDROXYTOLUENE
Molecular formula
C9H12O3
Molecular weight
168.19

Names & synonyms

2,3-dimethoxy-5-methylphenol1128-32-1Iridol4,5-Dimethoxy-3-hydroxytoluene5,6-Dimethoxy-m-cresolPhenol,2,3-dimethoxy-5-methyl-T26EB3VG8CMFCD00017288EINECS 214-437-1UNII-T26EB3VG8CSCHEMBL14279582,3-dimethoxy-5-methyl-phenol
Show more names
Phenol, 2,3-dimethoxy-5-methyl-
SCHEMBL29421895DTXSID60150176AKOS006281045FI66606NS00023660H79984

Database identifiers

CAS
1128-32-1
PubChem CID
70782
DTXSID
DTXSID60150176
UNII
T26EB3VG8C
EC Number
214-437-1
Nikkaji
J203.370D

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

form
solid
InChI
1S/C9H12O3/c1-6-4-7(10)9(12-3)8(5-6)11-2/h4-5,10H,1-3H3
InChIKey
XBGHSBRNXBJICG-UHFFFAOYSA-N
FDA UNII
26 EB3VG8C · T26EB3VG8C
UNSPSC Code
12352200 · 12352200
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H315-H317-H319
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Chemistry & industry

Upstream & downstream products

Suppliers6 total

湖北扬信医药科技有限公司15347293736 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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