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DL-1-Phenethylalcohol

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Name

DL-1-Phenethylalcohol

EINECS 202-707-1
CAS No. 98-85-1 Density 1.013 g/cm3
Solubility 29 g/L (20 °C) in water Melting Point 19-20 °C(lit.)
Formula C8H10O Boiling Point 206.9 °C at 760 mmHg
Molecular Weight 122.18 Flash Point 91.2 °C
Transport Information UN 2937 6.1/PG 3 Appearance colourless liquid
Safety 26-39-37/39 Risk Codes 22-38-41-36/37/38
Molecular Structure Molecular Structure of 98-85-1 (DL-1-Phenethylalcohol) Hazard Symbols HarmfulXn
Synonyms

(1-Hydroxyethyl)benzene;(RS)-sec-Phenethyl alcohol;1-Hydroxy-1-phenylethane;1-Phenyl-1-ethanol;1-Phenylethanol;DL-Methyl phenyl carbinol;Ethanol,1-phenyl-;NSC 25502;Styrallylalcohol;Synthacolin;sec-Phenethylalcohol;a-Methylbenzenemethanol;a-Methylphenylmethanol;a-Phenylethanol;

 

DL-1-Phenethylalcohol Chemical Properties

Molecule structure of DL-1-Phenethylalcohol (CAS NO.98-85-1):

IUPAC Name: 1-Phenylethanol 
Molecular Weight: 122.1644 g/mol
Molecular Formula: C8H10
Density: 1.013 g/cm3 
Melting Point: 19-20 °C(lit.)
Boiling Point: 206.9 °C at 760 mmHg 
Flash Point: 91.2 °C
Index of Refraction: 1.531
Molar Refractivity: 37.33 cm3
Molar Volume: 120.5 cm3
Surface Tension: 38 dyne/cm 
Enthalpy of Vaporization: 46.85 kJ/mol
Vapour Pressure: 0.139 mmHg at 25 °C 
Water Solubility: 29 g/L (20 °C)
Stability: Stable. Combustible. Incompatible with strong acids, strong oxidizing agents.
XLogP3: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 122.073165
MonoIsotopic Mass: 122.073165
Topological Polar Surface Area: 20.2
Heavy Atom Count: 9
Canonical SMILES: CC(C1=CC=CC=C1)O
InChI: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
EINECS: 202-707-1
Classification Code: Mutation data; Skin / Eye Irritant; Tumor data

DL-1-Phenethylalcohol Uses

 DL-1-Phenethylalcohol (CAS NO.98-85-1) is used as intermediates in organic synthesis.

DL-1-Phenethylalcohol Production

 DL-1-Phenethylalcohol is formed by the oxidation of ethyl benzene .

DL-1-Phenethylalcohol Toxicity Data With Reference

 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 15, Pg. 129, 1920.
guinea pig LD50 skin > 15mL/kg (15mL/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 695, 1969.
mouse LD50 oral 558mg/kg (558mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
 
rat LD50 oral 400mg/kg (400mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

DL-1-Phenethylalcohol Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-38-41-36/37/38 
R22:Harmful if swallowed. 
R38:Irritating to skin. 
R41:Risk of serious damage to the eyes. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-39-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S39:Wear eye / face protection. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2937 6.1/PG 3
WGK Germany: 1
RTECS: DO9275000
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29400090

DL-1-Phenethylalcohol Specification

 DL-1-Phenethylalcohol (CAS NO.98-85-1) is also named as (1-Hydroxyethyl)benzene ; 1-Fenylethanol ; 1-Fenylethanol [Czech] ; 1-Phenethyl alcohol ; 1-Phenyl-1-hydroxyethane ; 1-Phenylethan-1-ol ; 1-Phenylethanol ; 1-Phenylethyl alcohol ; AI3-02936 ; Benzenemethanol, alpha-methyl- ; Benzyl alcohol, alpha-methyl- ; CCRIS 2367 ; Ethanol, 1-phenyl- ; FEMA No. 2685 ; FEMA Number 2685 ; Fenyl-methylkarbinol ; Fenyl-methylkarbinol [Czech] ; HSDB 4164 ; Methanol, methylphenyl- ; Methylphenylcarbinol ; NCI-C55685 ; NSC 25502 ; Phenylmethylcarbinol ; alpha-Phenylethanol ; alpha-Phenylethyl alcohol . DL-1-Phenethylalcohol (CAS NO.98-85-1) is colourless liquid. It is insoluble in water. Contact may slightly irritate skin, eyes and mucous membranes. May be slightly toxic by ingestion, inhalation and skin absorption. It may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

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