2,4,5-trimethylaniline

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Names

[ CAS No. ]:
94-48-4

[ Name ]:
2,4,5-trimethylaniline

[Synonym ]:
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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Geraniol
  • Ethanone,2,2,2-trichloro-1-phenyl-
  • Benzoyl chloride
  • Benzoic acid, ethenylester
  • Methyl benzoate
  • benzoic acid
  • (E)-(3,7-dimethyl-2,6-octadienyloxy)(diphenyl)phosphine
  • 3-methyl-2-(phenylthio)but-3-en-1-yl benzoate
  • 3,3-Dimethylallyl bromide

DownStream

  • (E,E)-8-hydroxy-3,7-dimethyl-2,6-octadienyl benzoate
  • (3,7-dimethyl-8-oxoocta-2,6-dienyl) benzoate
  • benzoic acid,5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-ol
  • (3-methyl-6-oxohex-2-enyl) benzoate

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%

Related Compounds

  • 2,4,5-TRIMETHYLANILINE
  • 3-Bromo-2,4,5-trimethylaniline
  • 2,4,5-Trimethylaniline hydrochloride
  • 2-(4,5-dihydroimidazol-1-yl)ethyl-triethoxysilane
  • 2,4,5-Trifluoro-3-methoxybenzoic acid
  • 2-(4,5-dihydroxy-10-oxo-9H-anthracen-2-yl)ethyl acetate
  • N-(4-chlorophenyl)-2-(6-methoxy-4-oxo-3-(phenylsulfonyl)quinolin-1(4H)-yl)acetamide
  • N-(4-chlorophenyl)-2-(6-methoxy-4-oxo-3-tosylquinolin-1(4H)-yl)acetamide
  • N-(4-chlorophenyl)-2-(6-ethoxy-4-oxo-3-(phenylsulfonyl)quinolin-1(4H)-yl)acetamide
  • N-(4-chlorophenyl)-2-(6-fluoro-4-oxo-3-(phenylsulfonyl)quinolin-1(4H)-yl)acetamide
  • N-(4-chlorophenyl)-2-(6-fluoro-4-oxo-3-tosylquinolin-1(4H)-yl)acetamide
  • N-(4-fluorophenyl)-2-(4-oxo-3-tosylquinolin-1(4H)-yl)acetamide
  • N-(4-fluorophenyl)-2-(3-((4-fluorophenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)acetamide
  • N-(4-fluorophenyl)-2-(6-methyl-4-oxo-3-tosylquinolin-1(4H)-yl)acetamide
  • 2-[3-(3,4-dimethylbenzenesulfonyl)-6-methyl-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-fluorophenyl)acetamide
  • 2-(6-ethyl-4-oxo-3-tosylquinolin-1(4H)-yl)-N-(4-fluorophenyl)acetamide
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