1,3,5-Trimethoxybenzene

Names

[ CAS No. ]:
621-23-8

[ Name ]:
1,3,5-Trimethoxybenzene

[Synonym ]:
Benzene,1,3,5-trimethoxy
1,3,5-trimethoxy-benzene
Benzene, 1,3,5-trimethoxy-
1,3,5-Trimethoxybenzene
tri-O-methylphloroglucinol
phloroglucinol trimethyl ether
2,4,6-Trimethoxybenzene
1,3,5-Trimethyoxybenzene
1,3,5-trimethoxy-benzen
sym-Trimethoxybenzene
2,4,6-trimethoxyiodobenzene
1,3,5-Trimethoxybenz
1,3,5-trimethoxyarene
MFCD00008385
5-TriMethoxybenzene
TRISMETHOXYBENZENE
3,5-DIMETHOXYANISOLE
EINECS 210-673-4

Biological Activity

[Description]:

1,3,5-Trimethoxybenzene is a key component of the Chinese rose odor. 1,3,5-Trimethoxybenzene is synthesized in three successive methylation steps from phloroglucinol, the initial precursor. 1,3,5-Trimethoxybenzene is an effective sedative[1].

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Neurological Disease

[References]

[1]. Wu S, et al. The key role of phloroglucinol O-methyltransferase in the biosynthesis of Rosa chinensis volatile 1,3,5-trimethoxybenzene. Plant Physiol. 2004 May;135(1):95-102.

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
257.0±20.0 °C at 760 mmHg

[ Melting Point ]:
50-53 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂O₃

[ Molecular Weight ]:
168.190

[ Flash Point ]:
85.6±0.0 °C

[ Exact Mass ]:
168.078644

[ PSA ]:
27.69000

[ LogP ]:
1.61

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.485

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DC2810000

CHEMICAL NAME :: Benzene, 1,3,5-trimethoxy-

CAS REGISTRY NUMBER :: 621-23-8

BEILSTEIN REFERENCE NO. :: 1307993

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H12-O3

MOLECULAR WEIGHT :: 168.21

WISWESSER LINE NOTATION :: 1OR CO1 EO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1480 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,187,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 580 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,187,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,187,1969

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
1325

[ WGK Germany ]:
3

[ RTECS ]:
DC2810000

[ Packaging Group ]:
III

[ Hazard Class ]:
4.1

[ HS Code ]:
29093090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2909309090

[ Summary ]:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Reactive iodine species have been suggested to play an important role in the atmosphere (e.g. tropospheric ozone depletion, coastal new particle formation). However, there still exist major uncertaint...

Ozonolysis of lignin models in aqueous solution: anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and 1,3,5-trimethoxybenzene.

Environ. Sci. Technol. 43(16) , 6275-82, (2009)

The lignin models anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and 1,3,5-trimethoxybenzene were reacted with ozone in aqueous solution, and major products were identified and quantified with r...

Stereoselective glycosylations using oxathiane spiroketal glycosyl donors.

Carbohydr. Res. 348 , 6-13, (2012)

Novel oxathiane spiroketal donors have been synthesised and activated via an umpolung S-arylation strategy using 1,3,5-trimethoxybenzene and 1,3-dimethoxybenzene. The comparative reactivity of the res...