UNII:4TR9Q57OTG

Names

[ CAS No. ]:
127-66-2

[ Name ]:
UNII:4TR9Q57OTG

[Synonym ]:
UNII:4TR9Q57OTG
α-Ethynyl-α-methylbenzenemethanol
2-Phenyl-3-butyn-2-ol
2-phenylbut-3-yn-2-ol
Benzenemethanol, α-ethynyl-α-methyl-
3-Hydroxy-3-phenyl-1-butyne
EINECS 204-855-2
Benzyl alcohol, α-ethynyl-α-methyl-
MFCD00004454

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
217.5±0.0 °C at 760 mmHg

[ Melting Point ]:
48-52 °C

[ Molecular Formula ]:
C₁₀H₁₀O

[ Molecular Weight ]:
146.186

[ Flash Point ]:
96.1±0.0 °C

[ Exact Mass ]:
146.073166

[ PSA ]:
20.23000

[ LogP ]:
1.80

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

[ Index of Refraction ]:
1.554

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES0840000

CHEMICAL NAME :: 3-Butyn-2-ol, 2-phenyl-

CAS REGISTRY NUMBER :: 127-66-2

BEILSTEIN REFERENCE NO. :: 1100096

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H10-O

MOLECULAR WEIGHT :: 146.20

WISWESSER LINE NOTATION :: QX1&R&1UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 620 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,477,1954

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
ES0840000

[ HS Code ]:
2906299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2906299090

[ Summary ]:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%