2-Phenylpropionaldehyde

Names

[ CAS No. ]:
93-53-8

[ Name ]:
2-Phenylpropionaldehyde

[Synonym ]:
EINECS 202-255-5
Benzeneacetaldehyde, a-methyl-
MFCD00006973
Hydratropic aldehyde

Chemical & Physical Properties

[ Density]:
1.01

[ Boiling Point ]:
201ºC (12 torr)

[ Melting Point ]:
60ºC

[ Molecular Formula ]:
C₉H₁₀O

[ Molecular Weight ]:
134.17500

[ Flash Point ]:
169 °F

[ Exact Mass ]:
134.07300

[ PSA ]:
17.07000

[ LogP ]:
1.98900

[ Index of Refraction ]:
n20/D 1.517(lit.)

[ Storage condition ]:
Refrigerator

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CY1460000

CHEMICAL NAME :: Benzeneacetaldehyde, alpha-methyl-

CAS REGISTRY NUMBER :: 93-53-8

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C9-H10-O

MOLECULAR WEIGHT :: 134.19

WISWESSER LINE NOTATION :: VHY1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2800 mg/kg

TOXIC EFFECTS :: Behavioral - coma Skin and Appendages - hair

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6712 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CY1460000

[ HS Code ]:
2912299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

phenylene-ethylene
carbon monoxide
[(1R,2E)-1-methyl-2-heptenyl]benzene
(R,E)-(5-methylhex-3-en-2-yl)benzene
(R,Z)-N,N-[(1S,4S)-1,4-diphenyl-1,4-butylidene]-5-phenyl-3-hexenamide
(S)-(-)-2-PHENYL-1-PROPANOL
Benzene,(3,3-diethoxypropyl)-
erythro-(2S,3S)-2-amino-3-phenylbutanoic acid
Formyl radical

DownStream

Customs

[ HS Code ]: 2912299000

[ Summary ]:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Reductive activation of dioxygen by a myoglobin reconstituted with a flavohemin.

J. Am. Chem. Soc. 124(38) , 11234-5, (2002)

We successfully converted myoglobin, an oxygen-storage hemoprotein, into an oxygen-activating hemoprotein like cytochrome P450s by replacing the native hemin with the artificially created flavohemin. ...

Investigating the role of 2-phenylpropenal in felbamate-induced idiosyncratic drug reactions.

Chem. Res. Toxicol. 17(12) , 1568-76, (2004)

Felbamate (2-phenyl-1,3-propanediol dicarbamate, FBM) can cause aplastic anemia and hepatotoxicity. The mechanism of FBM-induced toxicities is unknown; however, it has been proposed that 2-phenylprope...

Synthesis and in vitro reactivity of 3-carbamoyl-2-phenylpropionaldehyde and 2-phenylpropenal: putative reactive metabolites of felbamate.

Chem. Res. Toxicol. 9(8) , 1225-9, (1996)

We propose that 3-carbamoyl-2-phenylpropionaldehyde is an intermediate in the metabolism of felbamate, an anti-epileptic drug with a unique profile of the therapeutic activity, and undergoes a cascade...