Dimethyl Benzyl Carbinyl Propionate

Modify Date: 2025-08-25 18:23:48

Dimethyl Benzyl Carbinyl Propionate Structure
Dimethyl Benzyl Carbinyl Propionate structure
Common Name Dimethyl Benzyl Carbinyl Propionate
CAS Number 67785-77-7 Molecular Weight 206.28100
Density 0.99 g/cm3 Boiling Point 276.3ºC at 760 mmHg
Molecular Formula C13H18O2 Melting Point N/A
MSDS N/A Flash Point 104.2ºC

 Names

Name Dimethyl Benzyl Carbinyl Propionate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.99 g/cm3
Boiling Point 276.3ºC at 760 mmHg
Molecular Formula C13H18O2
Molecular Weight 206.28100
Flash Point 104.2ºC
Exact Mass 206.13100
PSA 26.30000
LogP 2.96090
Index of Refraction 1.494
InChIKey BLKIYRRGHOQSPP-UHFFFAOYSA-N
SMILES CCC(=O)OC(C)(C)Cc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA0512000
CHEMICAL NAME :
Benzene ethanol, alpha,alpha-dimethyl-, propanoate
CAS REGISTRY NUMBER :
67785-77-7
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C13-H18-O2
MOLECULAR WEIGHT :
206.31
WISWESSER LINE NOTATION :
2VOX1&1&1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,669,1980 ** 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: 18,669,1980
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: 18,669,1980

 Synonyms

(2-methyl-1-phenylpropan-2-yl) propanoate
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