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| CAS No.: | 98-85-1 |
|---|---|
| Name: | DL-1-Phenethylalcohol |
| Article Data: | 1661 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10O |
| Molecular Weight: | 123.156 |
| 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; |
| EINECS: | 202-707-1 |
| Density: | 1.013 g/cm3 |
| Melting Point: | 19-20 °C(lit.) |
| Boiling Point: | 206.9 °C at 760 mmHg |
| Flash Point: | 91.2 °C |
| Solubility: | 29 g/L (20 °C) in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-38-41-36/37/38 |
| Safety: | 26-39-37/39 |
| Transport Information: | UN 2937 6.1/PG 3 |
| PSA: | 20.23000 |
| LogP: | 1.73990 |
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Chemistry
Molecule structure of DL-1-Phenethylalcohol (CAS NO.98-85-1):
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IUPAC Name: 1-Phenylethanol
Molecular Weight: 122.1644 g/mol
Molecular Formula: C8H10O
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
Uses
DL-1-Phenethylalcohol (CAS NO.98-85-1) is used as intermediates in organic synthesis.
Production
DL-1-Phenethylalcohol is formed by the oxidation of ethyl benzene .
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. |
Safety Profile
Hazard Codes: 
Xn
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
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.