HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5-Dimethylbenzaldehyde
Benzaldehyde, 2,5-dimethyl- · 25 DMB · Isoxylaldehyde · TIMTEC-BB SBB008435 · 2,5-DIMETHYLBENZALDEHYDE · 2,5-Dimethylbenzaldehyde-98% · 2,5-Dimethylbenzaldehyde,95% · 2,5-DIMETHYLBENZALDEHYDE 99%
Identifiers & Physical Properties
| CAS No. | 5779-94-2 |
|---|---|
| Molecular formula | C9H10O |
| Average molar mass | 134.17 g/mol |
| Monoisotopic mass | 134.07316494 g/mol |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| PubChem CID | 22015 |
| ChEBI | CHEBI:173203 |
| EC No. | 227-303-2 |
| DTXSID | DTXSID0075449 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 120 |
| Physical Description | Colorless to yellow liquid[MSDSonline] |
| Kovats Retention Index | 1154115911371208170516801683 |
| Boiling point | 104.5-106.5 °C/14 mmHg (lit.) |
| Density | 0.95 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.544(lit.) |
| Flash point | 190 °F |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Solubility | Acetonitrile (Slightly), Chloroform (Slightly)Not miscible in water. |
| Physical state | Oil |
| Color | Colourless |
| Specific gravity | 0.95 |
| Sensitivity | Air Sensitive |
| BRN | 1927303 |
| InChI | 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| LogP (partition coefficient) | 2.560 (est) |
| CAS DataBase Reference | 5779-94-2(CAS DataBase Reference) |
| FDA UNII | 6M224X1615 |
| NIST Chemistry Reference | Benzaldehyde, 2,5-dimethyl-(5779-94-2) |
| EPA Substance Registry System | 2,5-Dimethylbenzaldehyde (5779-94-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210e-P280a-P370+P378a-P403+P235-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29122990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatory information | Chemical: Benzaldehyde, 2,5-dimethyl- |
| Hazards summary | May cause irritation[MSDSonline] See ALDEHYDES. |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| Customs code | 29122990 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210e-P280a-P370+P378a-P403+P235-P501a |
Applications & Uses
Uses
2,5-Dimethylbenzaldehyde is useful for building asymmetric top molecules. 2,5-DMBA has also been used to analyze vehicle carbon emissions.
General Description
The LD vehicle′s emmision factor for 2,5-dimethylbenzaldehyde was studied.