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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).[1] TMB has been identified as one of the major volatile constituent present in the leave extracts of Eryngium foetidum L.[2] Based on the phosphorescence excitation and Stark spectral data, it has been observed that a change in temperature[3] and electric field[4] causes a change in the dipole moment of the compound.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
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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)
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)
Composition of the leaf oil of Eryngium foetidum L. from Cuba.
Pino JA, et al.
J. Essent. Oil Res., 9(4), 467-468 (1997)
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
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