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About This Item

Linear Formula:
(CH3)3C6H2CHO
CAS Number:
Molecular Weight:
148.20
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

90%

impurities

7% 5-bromo-1,2,4-trimethylbenzene

mp

41-46 °C (lit.)

functional group

aldehyde

SMILES string

[H]C(=O)c1cc(C)c(C)cc1C

InChI

1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3

InChI key

LROJZZICACKNJL-UHFFFAOYSA-N

General description

Dipole moments of 2,4,5-trimethylbenzaldehyde (TMB) isolated in a durene host crystal have been reported to be 1.65 ± 0.09D (difference between the ground state and the lowest singlet) and 1.05 ± 0.06D (difference between the ground state and triplet excited states). TMB has been identified as one of the major volatile constituent present in the leave extracts of Eryngium foetidum L. Based on the phosphorescence excitation and Stark spectral data, it has been observed that a change in temperature and electric field causes a change in the dipole moment of the compound.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup


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