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526452

Sigma-Aldrich

2,4,5-Trimethylbenzaldehyde

90%

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

Assay

90%

impurities

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

mp

41-46 °C (lit.)

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

Related Categories

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(C)

110 °C - closed cup

Regulatory Information

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H J Fang et al.
Yao xue xue bao = Acta pharmaceutica Sinica, 25(7), 534-537 (1990-01-01)
Essential oil from the rhizome of Cyclorhiza waltonii was obtained by steam distillation. The chemical components of the oil were examined by means of capillary gas chromatography and gas chromatography-mass selective detector with HP-5 and Carbowax 20M stationary phases. Fifteen
Composition of the leaf oil of Eryngium foetidum L. from Cuba.
Pino JA, et al.
J. Essent. Oil Res., 9(4), 467-468 (1997)
Triplet state Stark spectroscopy above the phosphorescence origin of 2, 4, 5-trimethylbenzaldehyde.
Winkler IC and Hanson DM.
J. Chem. Phys. , 76(12), 5739-5745 (1982)
On the ?dual phosphorescence? from 2, 4, 5-trimethylbenzaldehyde in crystalline durene.
Moehle W and Vala M.
Chemical Physics Letters, 41(1), 149-153 (1976)
Dipole moments of the lowest excited singlet and triplet states of 2, 4, 5-trimethylbenzaldehyde in a durene host crystal.
Sheng SJ and Hanson DM.
J. Chem. Phys. , 60(2), 368-374 (1974)

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