4339-05-3

4339-05-3 structure
4339-05-3 structure
  • Name: 1-Hexyn-3-ol, 3-methyl-
  • Chemical Name: 3-methylhex-1-yn-3-ol
  • CAS Number: 4339-05-3
  • Molecular Formula: C7H12O
  • Molecular Weight: 112.17000
  • Create Date: 2018-09-28 19:16:21
  • Modify Date: 2024-01-10 20:07:12

Name 3-methylhex-1-yn-3-ol
Synonyms 3-Methyl-1-hexyn-3-ol
Ethynylmethylpropylcarbinol
3-Methyl-hex-1-in-3-ol
Methyl-propyl-aethinyl-carbinol
3-methyl-hex-1-yn-3-ol
Methylpropylacetylenylcarbinol
1-HEXYN-3-OL,3-METHYL
Density 0.894g/cm3
Boiling Point 137.1ºC at 760mmHg
Molecular Formula C7H12O
Molecular Weight 112.17000
Flash Point 37.8ºC
Exact Mass 112.08900
PSA 20.23000
LogP 1.17070
Index of Refraction 1.451

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MR0182300
CHEMICAL NAME :
1-Hexyn-3-ol, 3-methyl-
CAS REGISTRY NUMBER :
4339-05-3
BEILSTEIN REFERENCE NO. :
1740424
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H12-O
MOLECULAR WEIGHT :
112.19
WISWESSER LINE NOTATION :
QX3&1&1UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
530 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: 5,161,1955

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4339-05-3 structure

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Literature: Zhang, Qian; Chen, Ying; Xia, Peng; Xia, Yi; Yang, Zheng-Yu; Yu, Donglei; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 23 p. 5855 - 5857

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4339-05-3 structure

4339-05-3

Literature: Campbell; Campbell; Eby Journal of the American Chemical Society, 1938 , vol. 60, p. 2882

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4339-05-3 structure

4339-05-3

Literature: Detz, Remko J.; Abiri, Zohar; Le Griel, Remi; Hiemstra, Henk; Van Maarseveen, Jan H. Chemistry - A European Journal, 2011 , vol. 17, # 21 p. 5921 - 5930

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4339-05-3 structure

4339-05-3

Literature: Locquin; Sung Bulletin de la Societe Chimique de France, 1924 , vol. <4>35, p. 604

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4339-05-3 structure

4339-05-3

Literature: Schichejew Zhurnal Obshchei Khimii, 1946 , vol. 16, p. 659,662 Chem.Abstr., 1947 , p. 1205 Full Text Show Details Nasarow; Wercholetowa Zhurnal Obshchei Khimii, 1948 , vol. 18, p. 1085 Chem.Abstr., 1949 , p. 1333