1-phenyl-1-propyne

Modify Date: 2025-08-25 17:15:38

1-phenyl-1-propyne Structure
1-phenyl-1-propyne structure
Common Name 1-phenyl-1-propyne
CAS Number 623-32-5 Molecular Weight 308.49900
Density 0.928 g/mL at 25ºC(lit.) Boiling Point 185ºC(lit.)
Molecular Formula C20H36O2 Melting Point N/A
MSDS N/A Flash Point 144 °F

 Names

Name ethyl 13-cyclopent-2-en-1-yltridecanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.928 g/mL at 25ºC(lit.)
Boiling Point 185ºC(lit.)
Molecular Formula C20H36O2
Molecular Weight 308.49900
Flash Point 144 °F
Exact Mass 308.27200
PSA 26.30000
LogP 6.19690
Index of Refraction n20/D 1.564(lit.)
InChIKey FDGHZUQYDACRTA-IBGZPJMESA-N
SMILES CCOC(=O)CCCCCCCCCCCCC1C=CCC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY6380000
CHEMICAL NAME :
2-Cyclopentene-1-tridecanoic acid, ethyl ester, (S)-
CAS REGISTRY NUMBER :
623-32-5
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H36-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,318,1952

 Safety Information

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26-36/37/39
WGK Germany 3

 Synthetic Route

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1-phenyl-1-propyne Structure

1-phenyl-1-propyne

CAS#:623-32-5

Literature: Mitchovitch Bulletin de la Societe Chimique de France, 1937 , vol. <5> 4, p. 1661,1669

~%

1-phenyl-1-propyne Structure

1-phenyl-1-propyne

CAS#:623-32-5

Literature: Power; Gornall Journal of the Chemical Society, 1904 , vol. 85, p. 856

 Precursor & DownStream

Precursor  2

DownStream  0

 1-phenyl-1-propyneBioassay

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Name: Antimycobacterial activity against Mycobacterium tuberculosis H37Rv
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL2209271
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 Synonyms

Ethyl 2-cyclopentene-1-tridecanoate
Ethy6l chaulmoograte
Chaulmoogric acid,ethyl ester
EINECS 210-786-9
2-Cyclopentene-1-tridecanoic acid,ethyl ester
ethyl chaulmoograte
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