UNII:4TR9Q57OTG

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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

  • Acetophenone
  • Bromo(ethynyl)magnesium
  • Acetylene
  • Lithium (trimethylsilyl)acetylide
  • sodium acetylide
  • Calcium carbide
  • 3-Hexyne-2,5-diol,2,5-diphenyl-
  • Potassium acetylide

DownStream

  • 2-phenylbut-3-yn-2-yl N-cyclohexylcarbamate
  • 3-Phenylthiophene
  • Benzenemethanol, a-ethyl-a-methyl-
  • 3-Phenyl-1-butene-3-ol
  • 2-Butanone,3-hydroxy-3-phenyl-
  • 4-methyl-5-methylidene-4-phenyl-1,3-dioxolan-2-one
  • 2,4-Diphenylpyridine
  • α-methylstyrene
  • benzoic acid 1-methyl-2-oxo-1-phenyl-propyl ester
  • 2-prop-2-enoxybut-3-yn-2-ylbenzene

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%

Related Compounds

  • 3-Methyl-3-(naphthalen-2-yl)oxirane-2-carbonitrile
  • 2-[1-(2,3-dichlorophenyl)-1H-1,2,3-triazol-5-yl]acetonitrile
  • 3-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanamido]ethoxy}propanoic acid
  • (2R)-2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-iodophenyl]formamido}butanoic acid
  • N-Methyl-N-(pyridin-2-yl)thiazol-2-amine
  • 2-(2-Bromo-3-hydroxyphenyl)ethanimidamide
  • 2-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1,1-difluoropropan-2-amine
  • Tert-butyl 2-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate
  • Methyl3-amino-2,6-dihydroxybenzoatehydrochloride
  • 4-bromo-1-methyl-1H-Benzimidazole-6-carbonitrile