4-Phenyl-3-butyn-2-one
Names
[ CAS No. ]:
1817-57-8
[ Name ]:
4-Phenyl-3-butyn-2-one
[Synonym ]:
1-acetyl-2-phenylacetylene
MFCD00008776
methyl phenylethynyl ketone
acetylphenyl-acetylene
EINECS 217-327-1
1-Phenyl-1-butyn-3-one
4-phenylbut-3-yn-2-one
4-Phenyl-3-butyn-2-one
methyl 2-phenylethynyl ketone
3-Butyn-2-one, 4-phenyl-
3-Butyn-2-one,4-phenyl
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
252.9±9.0 °C at 760 mmHg
[ Melting Point ]:
4°C
[ Molecular Formula ]:
C10H8O
[ Molecular Weight ]:
144.170
[ Flash Point ]:
95.0±0.0 °C
[ Exact Mass ]:
144.057510
[ PSA ]:
17.07000
[ LogP ]:
2.74
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.550
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ES0890000
- CHEMICAL NAME :
- 3-Butyn-2-one, 4-phenyl-
- CAS REGISTRY NUMBER :
- 1817-57-8
- BEILSTEIN REFERENCE NO. :
- 0878583
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H8-O
- MOLECULAR WEIGHT :
- 144.18
- WISWESSER LINE NOTATION :
- 1V1UU1R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,103,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05642
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S27-S37/39
[ RIDADR ]:
UN 3334
[ WGK Germany ]:
3
[ RTECS ]:
ES0890000
[ HS Code ]:
2914399090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2914399090
[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Articles
J. Org. Chem. 67(7) , 2183-7, (2002)
The reactions of 3-butyn-2-one (1), 3-hexyn-2-one (2), and 4-phenyl-3-butyn-2-one (3) with bromine chloride (BrCl) and iodine monochloride (ICl) in CH(2)Cl(2), CH(2)Cl(2)/pyridine, and MeOH are descri...
Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations.Drug Metab. Dispos. 30(4) , 414-20, (2002)
The reduction of the triple bond and carbonyl group of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one (PBYO), by rat liver microsomes and cytosol was investigated. The triple-bond-reduced product tr...
Improved procedure for the asymmetric reduction of prochiral ketones by B-3-pinanyl-9-borabicyclo [3.3. 1] nonane. Brown HC and Pai GG.J. Org. Chem. 47(8) , 1606-8, (1982)