CAS 1123-56-4 2,6-Dimethylbenzaldehyde (HCID 583841)

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Basic information

CAS: 1123-56-4
Standard SMILES: Cc1cccc(C)c1C=O
InChIKey: QOJQBWSZHCKOLL-UHFFFAOYSA-N
Molecular formula: C9H10O
Average molar mass: 134.17 g/mol
Monoisotopic mass: 134.07316494

Names & identifiers

Preferred name: 2,6-Dimethylbenzaldehyde
IUPAC: 2,6-dimethylbenzaldehyde
English name: 2,6-Dimethylbenzaldehyde
Molecular formula: C9H10O
Molecular weight: 134.18

Names & synonyms

2,6-Dimethylbenzaldehyde1123-56-4DTXSID40342693RefChem:445712DTXCID00293773877-950-5MFCD001280032-Formyl-m-xylenem-Xylene-2-carboxaldehydeBENZALDEHYDE, 2,6-DIMETHYL-2,6-DiMethyl-Benzaldehyde2,6-dimethylbenzaldehyd

Show more names

7-Fluoroacetophenone2,6-Dimethylbenzaldehyde>2,6-Dimethylbenzaldehyde,97%2,6-Dimethylbenzaldehyde 97%

2,6-Dimethyl benzaldehydeSCHEMBL66979SCHEMBL476988SCHEMBL283873212,6-Dimethylbenzaldehyde, 97%CL8253SBB063825AKOS005255233

Database identifiers

CAS: 1123-56-4
PubChem CID: 583841
DTXSID: DTXSID40342693
EC Number: 877-950-5
Nikkaji: J328.260K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 27 · 27-30 °C (lit.)
Boiling point: 230 °C · 230 °C (lit.)
Density: 1.003 · 1.003±0.06 g/cm3(Predicted)
Flash point: 27 °C · 27 °C
refractive index: 1.548 · 1.5480
storage temp.: Inert atmosphere,Room Temperature
form: Solid
color: White to yellow
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
InChI: 1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3
InChIKey: QOJQBWSZHCKOLL-UHFFFAOYSA-N
SMILES: [H]C(=O)c1c(C)cccc1C
CAS DataBase Reference: 1123 · 1123-56-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29122990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,6-Dimethylbenzaldehyde has been used as a catalyst for steresopecific polymerization of propylene, and as well, has been used to study the control of postharvest botrytis fruit rot of strawberry and how the volatile Candida intermedia produced, effects mycelial growth of Botrytis cinerea.