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526452

2,4,5-Trimethylbenzaldehyde

90%

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About This Item

Linear Formula:
(CH3)3C6H2CHO
CAS Number:
5779-72-6
Molecular Weight:
148.20
NACRES:
NA.22
PubChem Substance ID:
24874554
UNSPSC Code:
12352100
MDL number:
MFCD00017713
Assay:
90%
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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
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN2304
00605HJ
13324MB
09205DI

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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)
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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Global Trade Item Number

SKUGTIN
526452-1G04061825585789