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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.
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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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
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)
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)
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)
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