2,4,5-trimethylaniline

Modify Date: 2025-08-20 10:37:24

2,4,5-trimethylaniline Structure
2,4,5-trimethylaniline structure
Common Name 2,4,5-trimethylaniline
CAS Number 94-48-4 Molecular Weight 258.35500
Density 0.996 g/mL at 25 °C(lit.) Boiling Point 305 °C(lit.)
Molecular Formula C17H22O2 Melting Point N/A
MSDS N/A Flash Point >230 °F

 Names

Name 2,4,5-trimethylaniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.996 g/mL at 25 °C(lit.)
Boiling Point 305 °C(lit.)
Molecular Formula C17H22O2
Molecular Weight 258.35500
Flash Point >230 °F
Exact Mass 258.16200
PSA 26.30000
LogP 4.53610
Index of Refraction n20/D 1.517(lit.)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5925300
CHEMICAL NAME :
2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (E)-
CAS REGISTRY NUMBER :
94-48-4
BEILSTEIN REFERENCE NO. :
3119464
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C17-H22-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,887,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,887,1974

 Safety Information

Hazard Codes C: Corrosive;
Safety Phrases S26-S36/37/39
WGK Germany 2
RTECS RG5925300
HS Code 2916310090

 Synthetic Route

~91%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Ram, Ram N.; Soni, Vineet Kumar; Gupta, Dharmendra Kumar Tetrahedron, 2012 , vol. 68, # 44 p. 9068 - 9075

~94%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Moore, Joel D.; Byrne, Robert J.; Vedantham, Punitha; Flynn, Daniel L.; Hanson, Paul R. Organic Letters, 2003 , vol. 5, # 23 p. 4241 - 4244

~93%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Grasa, Gabriela A.; Gueveli, Tatyana; Singh, Rohit; Nolan, Steven P. Journal of Organic Chemistry, 2003 , vol. 68, # 7 p. 2812 - 2819

~10%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Hatano, Manabu; Furuya, Yoshiro; Shimmura, Takumi; Moriyama, Katsuhiko; Kamiya, Sho; Maki, Toshikatsu; Ishihara, Kazuaki Organic Letters, 2011 , vol. 13, # 3 p. 426 - 429

~%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Bulletin of the Chemical Society of Japan, , vol. 76, # 8 p. 1645 - 1667

~%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Indian Soap J., , vol. 10, p. 57,60

~%

Detail
Literature: Chemistry Letters, , p. 1899 - 1902

~%

2,4,5-trimethylaniline Structure

2,4,5-trimethyl...

CAS#:94-48-4

Literature: Indian Soap J., , vol. 10, p. 57,60

 Customs

HS Code 2916310090
Summary 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

 Synonyms

benzoicacid,geraniolester
(E)-geranyl benzoate
GERANYL BENZOATE FCC
(E)-3,7-dimethyl-2,6-octadien-1-yl benzoate
(E)-3,7-dimethyl-2,6-octadien-1-ol
BENZOIC ACID GERANYL ESTER
benzoicacidgeranylester
GERANYL BENZOATE
2,4-DIMETHYLBENZYLAMINE
PSEUDOCUMIDINE
benzoic acid 3,7-dimethyl-octa-2,6-dienyl ester
O-Benzoyl-geraniol
(E)-3,7-dimethylocta-2,6-dien-1-yl benzoate
MFCD00025201
2,6-OCTADIEN-1-OL,3,7-DIMETHYL-, 1-BENZOATE, (2E)-
1-AMINO-2,4,5-TRIMETHYLBENZENE
geraniolbenzoate
EINECS 202-337-0
FEMA 2511
Benzoic acid geranyl
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