1,3-Dioxane,4-(4-methoxyphenyl)-5-methyl-

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Names

[ CAS No. ]:
5689-72-5

[ Name ]:
1,3-Dioxane,4-(4-methoxyphenyl)-5-methyl-

[Synonym ]:
4-p-methoxyphenyl-5-methyl-1,3-dioxane
4-Anisyl-5-methyl-1,3-dioxan
5-Methyl-4-anisyl-1,3-dioxan
Opt.-inakt. 4-<4-Methoxy-phenyl>-5-methyl-<1,3-dioxan>

Chemical & Physical Properties

[ Density]:
1.058g/cm3

[ Boiling Point ]:
308.2ºC at 760mmHg

[ Molecular Formula ]:
C12H16O3

[ Molecular Weight ]:
208.25400

[ Flash Point ]:
102.8ºC

[ Exact Mass ]:
208.11000

[ PSA ]:
27.69000

[ LogP ]:
2.37670

[ Index of Refraction ]:
1.496

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH2100000
CHEMICAL NAME :
m-Dioxane, 4-(p-methoxyphenyl)-5-methyl-
CAS REGISTRY NUMBER :
5689-72-5
LAST UPDATED :
199603
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H16-O3
MOLECULAR WEIGHT :
208.28
WISWESSER LINE NOTATION :
T6O COTJ DR DO1& E1

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 :
4200 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4500 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
360 mL/kg/13W-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948

Synthetic Route

Precursor & DownStream

Precursor

  • Formaldehyde
  • cis-Anethol
  • trans-Anethole

DownStream

  • p-Anisic acid

Related Compounds

  • (2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxane-4-carbaldehyde
  • 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-dioxane
  • 4-(4-isopropyl-phenyl)-5-methyl-[1,3]dioxane
  • 4-(4-METHOXYPHENYL)-5-METHYL-2(3H)-THIAZOLONE HYDRAZONE
  • 2-(4-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
  • 2-(4-methoxyphenyl)-5-methyl-5-propyl-1,3-dioxane