2,4,6-Trimethoxybenzaldehyde

HCID 70019
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Basic information

CAS
830-79-5
Standard SMILES
COc1cc(OC)c(C=O)c(OC)c1
InChIKey
CRBZVDLXAIFERF-UHFFFAOYSA-N
Molecular formula
C10H12O4
Average molar mass
196.2 g/mol
Monoisotopic mass
196.07355886

Names & identifiers

Preferred name
2,4,6-Trimethoxybenzaldehyde
IUPAC
2,4,6-trimethoxybenzaldehyde
English name
2,4,6-Trimethoxybenzaldehyde
Molecular formula
C10H12O4
Molecular weight
196.2

Names & synonyms

2,4,6-TrimethoxybenzaldehydeBenzaldehyde, 2,4,6-trimethoxy-DTXSID70232119JD365X6J84CRBZVDLXAIFERF-UHFFFAOYSA-RefChem:82133DTXCID20154610212-598-24-08-00-02717 (Beilstein Handbook Reference)CRBZVDLXAIFERF-UHFFFAOYSA-NInChI=1/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3830-79-5
Show more names
AKOS BBS-00003255TIMTEC-BB SBB0003512,4,6-TrimethoxybenzaLTrimetazidine Impurity 112,4,6-Methoxybenzaldehyde2,4,6-Trimethoxybenzaldehyde98%2,4,6-Trimethoxybenzaldehyde 98%1-Formyl-2,4,6-trimethoxybenzene
MFCD00003313BCP335902,4,6-Trimethoxybenzaldehyde, 98%BBL027431ZB1376AC-12837SY015346A840500

Database identifiers

CAS
830-79-5
PubChem CID
70019
DTXSID
DTXSID70232119
ChEMBL
CHEMBL2234486
UNII
JD365X6J84
EC Number
212-598-2
Nikkaji
J109K

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
115 · 115-120 °C (lit.)
Boiling point
293.08 °C · 293.08°C (rough estimate)
Density
1.2166 · 1.2166 (rough estimate)
refractive index
1.555 · 1.5550 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
CU8460200
hs_code
29124990
risk_code
36/37/38-34
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses2,4,6-Trimethoxybenzaldehyde was used in the preparation and characterization of three RNA-specific fluorescent probes and their use in live cell imaging. It was used as starting reagent for the regioselective synthesis of new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins.

General Description2,4,6-Trimethoxybenzaldehyde exhibits significant anti-candida activity.

Upstream & downstream products

Suppliers100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

29 records
New reaction record

Compound notes

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