Basic information
- CAS
487-68-3- Standard SMILES
Cc1cc(C)c(C=O)c(C)c1- InChIKey
HIKRJHFHGKZKRI-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
2,4,6-Trimethylbenzaldehyde is a carbonyl compound.
Names & identifiers
- Preferred name
- 2,4,6-Trimethylbenzaldehyde
- IUPAC
- 2,4,6-trimethylbenzaldehyde
- English name
- Mesitaldehyde
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
2,4,6-TRIMETHYLBENZALDEHYDEMesitaldehyde487-68-3MesitylaldehydeBenzaldehyde, 2,4,6-trimethyl-MesitylenecarboxaldehydeDTXSID5052125NSC-290944W00MG84DRDTXCID7030694RefChem:811141207-662-1
Show more names
Rice aldehydeMesitaldehyde>98%LABOTEST-BB LT00930691Mesitaldehyde, 98% 10GR
2-MesitylenecarboxaldehydeMFCD000033412-Formylmesitylene2,4,6-trimethyl-benzaldehydeIsoduralb-IsoduralBRN 13641142-Formyl-1,3,5-trimethylbenzene
Database identifiers
- CAS
487-68-3- PubChem CID
- 10254
- DTXSID
DTXSID5052125- ChEMBL
CHEMBL3560744- ChEBI
CHEBI:195893- UNII
- 4W00MG84DR
- EC Number
- 207-662-1
- Nikkaji
- J113.341A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials PropertiesChemical shift
Boiling Point238.50 °C. @ 760.00 mm Hg
Melting Point14 °C
Physical Description
Clear light yellow liquid; mp = 10-12 deg C; [Sigma-Aldrich MSDS]
Liquid
Physicochemical properties
- Melting point
- 10 · 10-12 °C(lit.)
- Boiling point
- 237 °C · 237 °C(lit.)
- Density
- 1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.553(lit.)
- Flash point
- 222 °F · 222 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 2,4,6-trimethyl-
Status: Active Update: 17-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11719
Benzaldehyde, 2,4,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (99.4%)
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CU8500000
- hs_code
- 29122900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-36-24/25
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2,4,6-trimethyl-: ACTIVE
Applications
UsesMesitaldehyde is used in organic synthesis, and also used as medicine and other fine chemical products.
Upstream & downstream products
Upstream raw materials
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]
衢州润东化工有限公司
Related reactions
39 records
Compound notes
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