CAS 6285-06-9|3-Ethyl-1-pentyn-3-ol

Introduction:Basic information about CAS 6285-06-9|3-Ethyl-1-pentyn-3-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-Ethyl-1-pentyn-3-ol
CAS Number6285-06-9Molecular Weight112.170
Density0.9±0.1 g/cm3Boiling Point137.1±8.0 °C at 760 mmHg
Molecular FormulaC7H12OMelting Point138-140 °C (lit.)
MSDSChineseUSAFlash Point37.8±8.2 °C
Symbol
GHS02
Signal WordWarning

Names

Name3-Ethyl-1-pentyn-3-ol
SynonymMore Synonyms

Chemical & Physical Properties

Density0.9±0.1 g/cm3
Boiling Point137.1±8.0 °C at 760 mmHg
Melting Point138-140 °C (lit.)
Molecular FormulaC7H12O
Molecular Weight112.170
Flash Point37.8±8.2 °C
Exact Mass112.088814
PSA20.23000
LogP1.38
Vapour Pressure3.0±0.5 mmHg at 25°C
Index of Refraction1.452
InChIKeyPUNRPAWKFTXZIW-UHFFFAOYSA-N
SMILESC#CC(O)(CC)CC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SC4857000
CHEMICAL NAME :
1-Pentyn-3-ol, 3-ethyl-
CAS REGISTRY NUMBER :
6285-06-9
BEILSTEIN REFERENCE NO. :
1740944
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H12-O
MOLECULAR WEIGHT :
112.19
WISWESSER LINE NOTATION :
QX2&2&1UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
192 mg/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: 109,268,1953
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - sleep
REFERENCE :
BDBU** "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institut der Universitat Breslau, Poland, 1930 Volume(issue)/page/year: -,-,1930

Safety Information

Symbol
GHS02
Signal WordWarning
Hazard StatementsH226
Hazard CodesF+
Risk PhrasesR10
Safety PhrasesS16
RIDADRUN 1987 3/PG 3
WGK Germany3
RTECSSC4857000
Packaging GroupIII
Hazard Class3

Synonyms

3-Ethylpent-1-yn-3-ol
MFCD00014392
EINECS 228-512-1
3-Ethyl-1-pentyn-3-ol
1-Pentyn-3-ol, 3-ethyl-
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