CAS 1817-57-8|4-Phenyl-3-butyn-2-one

Introduction：Basic information about CAS 1817-57-8|4-Phenyl-3-butyn-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	4-Phenyl-3-butyn-2-one
CAS Number	1817-57-8	Molecular Weight	144.170
Density	1.1±0.1 g/cm3	Boiling Point	252.9±9.0 °C at 760 mmHg
Molecular Formula	C₁₀H₈O	Melting Point	4°C
MSDS	ChineseUSA	Flash Point	95.0±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	4-phenylbut-3-yn-2-one
Synonym	More Synonyms

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
InChIKey	UPEUQDJSUFHFQP-UHFFFAOYSA-N
SMILES	CC(=O)C#Cc1ccccc1
Storage condition	2-8°C

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

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%

Articles3

Addition of bromine chloride and iodine monochloride to carbonyl-conjugated, acetylenic ketones: synthesis and mechanisms.

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)

Synonyms

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

Recommended......