2-(PHENYLMETHYL)-4,4,6-TRIMETHYL-1,3-DIOXANE

Modify Date: 2025-08-25 19:00:38

2-(PHENYLMETHYL)-4,4,6-TRIMETHYL-1,3-DIOXANE Structure
2-(PHENYLMETHYL)-4,4,6-TRIMETHYL-1,3-DIOXANE structure
Common Name 2-(PHENYLMETHYL)-4,4,6-TRIMETHYL-1,3-DIOXANE
CAS Number 67633-94-7 Molecular Weight 220.30700
Density 0.978g/cm3 Boiling Point 292ºC at 760 mmHg
Molecular Formula C14H20O2 Melting Point N/A
MSDS N/A Flash Point 138ºC

 Names

Name 2-benzyl-4,4,6-trimethyl-1,3-dioxane
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.978g/cm3
Boiling Point 292ºC at 760 mmHg
Molecular Formula C14H20O2
Molecular Weight 220.30700
Flash Point 138ºC
Exact Mass 220.14600
PSA 18.46000
LogP 3.15920
Index of Refraction 1.487
InChIKey KSEFBQCEGMTNPD-UHFFFAOYSA-N
SMILES CC1CC(C)(C)OC(Cc2ccccc2)O1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH2283800
CHEMICAL NAME :
1,3-Dioxane, 2-(phenylmethyl)-4,4,6-trimethyl-
CAS REGISTRY NUMBER :
67633-94-7
BEILSTEIN REFERENCE NO. :
0134216
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H20-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,103S,1992
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,103S,1992

 Synthetic Route

~%

2-(PHENYLMETHYL)-4,4,6-TRIMETHYL-1,3-DIOXANE Structure

2-(PHENYLMETHYL...

CAS#:67633-94-7

Literature: Winthrop Chem. Co. Patent: US1837273 , 1930 ;

 Synonyms

4,4,6-Trimethyl-2-benzyl-1,3-dioxane
Reseda body
m-Dioxane,2-benzyl-4,4,6-trimethyl
EINECS 266-795-3
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