3-Phenylpropanal

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Names

[ CAS No. ]:
104-53-0

[ Name ]:
3-Phenylpropanal

[Synonym ]:
3-Phenylpropylaldehyde
3-Phenylpropionaldehyde
3-Phenylpropanal
dihydrocinnamaldehyde
3-Phenylpropyl aldehyde
Benzenepropanal
β-Phenylpropionaldehyde
MFCD00007021
Propionaidehyde, 3-phenyl-
propionaldehyde, 3-phenyl-
Hydrocinnamaldehyde
Hydrocinnamic aldehyde
Hydrocinnamylaldehyde
EINECS 203-211-8
Phenylpropyl aldehyde

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
217.7±0.0 °C at 760 mmHg

[ Melting Point ]:
-42 °C

[ Molecular Formula ]:
C₉H₁₀O

[ Molecular Weight ]:
134.175

[ Flash Point ]:
95.0±0.0 °C

[ Exact Mass ]:
134.073166

[ PSA ]:
17.07000

[ LogP ]:
2.04

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.509

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MW4890000

CHEMICAL NAME :: Hydrocinnamaldehyde

CAS REGISTRY NUMBER :: 104-53-0

BEILSTEIN REFERENCE NO. :: 1071910

LAST UPDATED :: 199701

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C9-H10-O

MOLECULAR WEIGHT :: 134.19

WISWESSER LINE NOTATION :: VH2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Human

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,967,1974 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,967,1974

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#05219

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,967,1974

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319

[ Precautionary Statements ]:
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:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
MW4890000

[ HS Code ]:
2912299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(1-acetyloxy-3-phenyl-propyl) acetate
Cinnamaldehyde
3-Phenylpropanoyl chloride
Cinnamic aldehyde
3-Phenylpropan-1-ol
2-(2-phenylethyl)-1,3-dithioxane
3-Phenyl-2-propen-1-ol
Hydrocinnamic acid
Cinnamyl alcohol
1,6-diphenyl-1-hexene-3,4-diol

DownStream

3-phenyl-N-prop-2-enylpropan-1-imine
Benzenepropanamide,N-cyclohexyl-
1-(3-phenylpropyl)piperidin-4-one
(-)-norephedrine
(S)-3-Hydroxy-1,5-diphenylpentan-1-one
3-Phenyl-1-propylboronic acid pinacol ester
6-PHENYL-2-HEXYNE
2-Difluoroacetic acid methyl ester
dimethyl tetrafluorosuccinate

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%

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