Molecular Formula: C10H10O
Molar mass: 146.1858 g/mol
EINECS: 204-855-2
Density: 1.064 g/cm3
Flash Point: 96.1 °C
Index of Refraction: 1.553
Boiling Point: 217.5 °C at 760 mmHg
Vapour Pressure: 0.0771 mmHg at 25°C
Melting point: 48-52 °C
Storage temp: 2-8°C
Appearance: White semi-transparent crystals
Product categories: Alkynes;Terminal;Organic Building Blocks
Structure of 2-Phenyl-3-butyn-2-ol (CAS NO.127-66-2):
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 1
IUPAC Name: 2-Phenylbut-3-yn-2-ol
Canonical SMILES: CC(C#C)(C1=CC=CC=C1)O
InChI: InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3
InChIKey: KSLSOBUAIFEGLT-UHFFFAOYSA-N
1. | orl-mus LD50:620 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),477. |
Carcinogenicity of 2-Phenyl-3-butyn-2-ol (CAS NO.127-66-2) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
2-Phenyl-3-butyn-2-ol ,its cas register number is 127-66-2. It also can be called 3-Hydroxy-3-phenyl-1-butyne ; 2-Phenylbut-3-yn-2-ol ; 3-Butyn-2-ol, 2-phenyl- ; 3-Phenyl-butin-1-ol-(3) and Methylphenylethynylcarbinol . 2-Phenyl-3-butyn-2-ol (CAS NO.127-66-2) is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, 2-Phenyl-3-butyn-2-ol (CAS NO.127-66-2) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.
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