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93-53-8

Basic Information
CAS No.: 93-53-8
Name: Benzeneacetaldehyde, a-methyl-
Molecular Structure:
Molecular Structure of 93-53-8 (Benzeneacetaldehyde, a-methyl-)
Formula: C9H10O
Molecular Weight: 134.19
Synonyms: Hydratropaldehyde(6CI,7CI,8CI);2-Phenylpropanal;2-Phenylpropanaldehyde;2-Phenylpropionaldehyde;Cumene aldehyde;Hyacinthal;Hydratropic aldehyde;NSC 5231;a-Formylethylbenzene;a-Methyl-a-toluicaldehyde;a-Methylbenzeneacetaldehyde;a-Methylphenylacetaldehyde;a-Phenylpropionaldehyde;
EINECS: 202-255-5
Density: 0.981 g/cm3
Melting Point: 60 °C
Boiling Point: 202.339 °C at 760 mmHg
Flash Point: 76.111 °C
Solubility:
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information:
PSA: 17.07000
LogP: 1.98900
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Consensus Reports

CUMENE ALDEHYDE(93-53-8) is reported in EPA TSCA Inventory.

Specification

The 2-Phenylpropionaldehyde, with the CAS registry number 93-53-8, is also known as alpha-Methyltolualdehyde. Its EINECS registry number is 202-255-5. This chemical's molecular formula is C9H10O and molecular weight is 134.1751. Its IUPAC name is called 2-phenylpropanal. This chemical is clear colorless liquid. This chemical can be used as flavors. Besides, it is mainly used for the preparation of melons, almonds, cherries, peaches, plums and other flavor.

Physical properties of 2-Phenylpropionaldehyde: (1)ACD/LogP: 2.113; (2)ACD/LogD (pH 5.5): 2.11; (3)ACD/LogD (pH 7.4): 2.11; (4)ACD/BCF (pH 5.5): 23.77; (5)ACD/BCF (pH 7.4): 23.77; (6)ACD/KOC (pH 5.5): 336.17; (7)ACD/KOC (pH 7.4): 336.17; (8)#H bond acceptors:1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 40.625 cm3; (12)Molar Volume: 136.824 cm3; (13)Polarizability: 16.105 10-24cm3; (14)Surface Tension: 34.3320007324219 dyne/cm; (15)Density: 0.981 g/cm3; (16)Flash Point: 76.111 °C; (17)Enthalpy of Vaporization: 43.856 kJ/mol; (18)Boiling Point: 202.339 °C at 760 mmHg; (19)Vapour Pressure: 0.293999999761581 mmHg at 25°C

Preparation of 2-Phenylpropionaldehyde: This chemical can be prepared by 2-methyl-2-phenyl-oxirane.

Uses of 2-Phenylpropionaldehyde: It can be used to produce 3-hydroxy-2-methyl-2-phenyl-propionaldehyde. This reaction will need reagent water and K2CO3.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
(3)InChIKey: IQVAERDLDAZARL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0572460,
rat LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: COMA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.