Benzalacetone

Suppliers

Names

[ CAS No. ]:
122-57-6

[ Name ]:
Benzalacetone

[Synonym ]:
FEMA 2881
Benzylideneacetone
methyl styryl ketone
Benzalaceton
4-Phenylbutenone
4-Phenyl-3-Buten-2-One
1-methyl-3-phenyl-2-propen-1-one
EINECS 204-555-1
benzylidene
Methylstyrylketon
MFCD00008779
METHYLSTYRYL
BENZALAOETONE
4-Phenylbut-3-en-2-one
Benzalacetone
ACETOCINNAMONE
Benzylideneacetone,Methyl styryl ketone
Benzylidene acetone
Benzal Acetone

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
260.8±9.0 °C at 760 mmHg

[ Melting Point ]:
39-42 °C(lit.)

[ Molecular Formula ]:
C10H10O

[ Molecular Weight ]:
146.186

[ Flash Point ]:
65.6±0.0 °C

[ Exact Mass ]:
146.073166

[ PSA ]:
17.07000

[ LogP ]:
2.17

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.563

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EN0330000
CHEMICAL NAME :
3-Buten-2-one, 4-phenyl-
CAS REGISTRY NUMBER :
122-57-6
BEILSTEIN REFERENCE NO. :
0742046
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C10-H10-O
MOLECULAR WEIGHT :
146.20
WISWESSER LINE NOTATION :
1V1U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1021,1973
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
JSCCA5 Journal of the Society of Cosmetic Chemists. (Soc. of Cosmetic Chemists, 1995 Broadway, Suite 1701, New York, NY 10023) V.1- 1947- Volume(issue)/page/year: 28,357,1977 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2031 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Vascular - regional or general arteriolar or venous dilation Skin and Appendages - hair
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0391-1194
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,617,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
112 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,617,1969 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83179 No. of Facilities: 41 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 550 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83179 No. of Facilities: 196 (estimated) No. of Industries: 7 No. of Occupations: 10 No. of Employees: 5458 (estimated) No. of Female Employees: 2178 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H317

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R36/37/38;R42/43

[ Safety Phrases ]:
S7-S26-S36/37/39-S45-S37/39-S24-S36/37-S22

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
EN0330050

[ HS Code ]:
29143900

Synthetic Route

Precursor & DownStream

Precursor

  • 4-phenyl-3-buten-2-ol
  • 2-methyl-2-styryl-1,3-dithiane
  • Benzaldehyde
  • Acetone
  • 1-(3-phenyloxiran-2-yl)ethanone
  • 4-Phenyl-3-butyn-2-one
  • 3-Buten-2-one,4-phenyl-, oxime
  • (+/-)-1-phenyl-2-butyn-1-ol
  • 4-phenyl-4-phenylsulfanyl-butan-2-one

DownStream

  • 6,6-dimethyl-4-phenylheptane-2,5-dione
  • 1,5-dimethyl-3-phenylpyrazole
  • 1,3-dimethyl-5-phenyl-1H-pyrazole
  • 5-Methyl-3-phenyl-1H-pyrazole
  • dibenzylideneacetone
  • 5-Phenylcyclohexane-1,3-dione
  • ETHYL2,4-DIOXO-6-PHENYLCYCLOHEXANE- CARBOXYLATE
  • 4,4'-Dimethoxybiphenyl

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

Multiple UDP-glucuronosyltransferases in human liver microsomes glucuronidate both R- and S-7-hydroxywarfarin into two metabolites.

Arch. Biochem. Biophys. 564 , 244-53, (2014)

The widely used anticoagulant Coumadin (R/S-warfarin) undergoes oxidation by cytochromes P450 into hydroxywarfarins that subsequently become conjugated for excretion in urine. Hydroxywarfarins may mod...

Dehydrozingerone, chalcone, and isoeugenol analogues as in vitro anticancer agents.

J. Nat. Prod. 69 , 1445-9, (2006)

Twenty-eight compounds related to dehydrozingerone (1), isoeugenol (3), and 2-hydroxychalcone (4) were synthesized and evaluated in vitro against human tumor cell replication. Except for isoeugenol an...

Microbial production of 4-hydroxybenzylidene acetone, the direct precursor of raspberry ketone.

Lett. Appl. Microbiol. 45(1) , 29-35, (2007)

To investigate the enzymatic aldol reaction between acetone as a donor and 4-hydroxybenzaldehyde as a receptor to generate 4-(4-hydroxyphenyl)-but-3-ene-2-one or 4-hydroxybenzylidene acetone, the dire...


More Articles


Related Compounds

  • benzalacetone-d4
  • benzalacetone-d10
  • epoxybenzalacetone
  • epoxybenzalacetone
  • benzalacetone oxime
  • benzalacetone oxime
  • 2-ethoxy-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)benzamide
  • N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-phenoxyacetamide
  • 4-tert-butyl-N-(2-{[6-(4-fluorophenyl)pyridazin-3-yl]oxy}ethyl)benzamide
  • N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-3,3-diphenylpropanamide
  • N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2,2-diphenylacetamide
  • N-(1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
  • 3-bromo-N-(2-{[6-(4-fluorophenyl)pyridazin-3-yl]oxy}ethyl)benzamide
  • N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-(m-tolyl)acetamide
  • 2-(benzylthio)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide
  • 2-(4-fluorophenyl)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.