1-Hexyn-3-ol, 3-methyl-

Modify Date: 2025-08-21 19:08:42

1-Hexyn-3-ol, 3-methyl- structure	Common Name	1-Hexyn-3-ol, 3-methyl-
	CAS Number	4339-05-3	Molecular Weight	112.17000
	Density	0.894g/cm3	Boiling Point	137.1ºC at 760mmHg
	Molecular Formula	C₇H₁₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	37.8ºC

Name	3-methylhex-1-yn-3-ol
Synonym	More Synonyms

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
InChIKey	DTGUZRPEDLHAAO-UHFFFAOYSA-N
SMILES	C#CC(C)(O)CCC

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

Pentan-2-one

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Acetylene

CAS#:74-86-2

~99%

1-Hexyn-3-ol, 3...

CAS#:4339-05-3

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

sodium acetylide

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Pentan-2-one

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1-Hexyn-3-ol, 3...

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

Pentan-2-one

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Bromo(ethynyl)m...

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1-Hexyn-3-ol, 3...

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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

Pentan-2-one

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1-Hexyn-3-ol, 3...

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

Diethyl ether

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Pentan-2-one

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4,7-dimethyl-5-...

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1-Hexyn-3-ol, 3...

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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

Precursor 5
CAS#:107-87-9 Pentan-2-one CAS#:74-86-2 Acetylene CAS#:1066-26-8 sodium acetylide CAS#:4301-14-8 Bromo(ethynyl)m...
CAS#:60-29-7 Diethyl ether
DownStream 8
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