3-(m-Propylphenoxy)-1,2-propanediol

Modify Date: 2024-04-09 20:23:05

3-(m-Propylphenoxy)-1,2-propanediol Structure
3-(m-Propylphenoxy)-1,2-propanediol structure
 Common Name 3-(m-Propylphenoxy)-1,2-propanediol
CAS Number 63991-77-5 Molecular Weight 210.27000
Density 1.099g/cm3 Boiling Point 373.5ºC at 760mmHg
Molecular Formula C12H18O3 Melting Point N/A
MSDS N/A Flash Point 179.7ºC

 Names

Name 3-(3-Propylphenoxy)-1,2-propanediol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.099g/cm3
Boiling Point 373.5ºC at 760mmHg
Molecular Formula C12H18O3
Molecular Weight 210.27000
Flash Point 179.7ºC
Exact Mass 210.12600
PSA 49.69000
LogP 1.37110
Index of Refraction 1.533
InChIKey HEXPBLMJYQVQNU-UHFFFAOYSA-N
SMILES CCCc1cccc(OCC(O)CO)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ1133000
CHEMICAL NAME :
1,2-Propanediol, 3-(m-propylphenoxy)-
CAS REGISTRY NUMBER :
63991-77-5
BEILSTEIN REFERENCE NO. :
3265136
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H18-O3
MOLECULAR WEIGHT :
210.30
WISWESSER LINE NOTATION :
Q1YQ1OR C3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 72,1545,1952

 Synthetic Route

3-Propylphenol structure

3-Propylphenol

CAS#:621-27-2

3-Chloro-1,2-propanediol structure

3-Chloro-1,2-pr...

CAS#:96-24-2

~%

3-(m-Propylphenoxy)-1,2-propanediol Structure

3-(m-Propylphen...

CAS#:63991-77-5

Literature: Kariyone et al. Yakugaku Zasshi, 1952 , vol. 72, p. 1545 Chem.Abstr., 1953 , p. 9314

 Synonyms

3-<3-Pyridyl>-piperidin
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