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77-75-8

77-75-8 structure
77-75-8 structure
Name 3-Methyl-1-pentyn-3-ol
Synonyms Dormison
3-Methylpent-1-yn-3-ol
Meparfynol
methylpentynol
MFCD00004479
Methylparafynol
3-Methyl-1-pentyn-3-ol
EINECS 201-055-5
1-Pentyn-3-ol, 3-methyl-
Atemorin
Density 0.9±0.1 g/cm3
Boiling Point 120.5±8.0 °C at 760 mmHg
Melting Point -30ºC
Molecular Formula C6H10O
Molecular Weight 98.143
Flash Point 26.7±0.0 °C
Exact Mass 98.073166
PSA 20.23000
LogP 0.85
Vapour density 3 (vs air)
Vapour Pressure 7.3±0.5 mmHg at 25°C
Index of Refraction 1.448

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SC4900000
CHEMICAL NAME :
1-Pentyn-3-ol, 3-methyl-
CAS REGISTRY NUMBER :
77-75-8
BEILSTEIN REFERENCE NO. :
0969340
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H10-O
MOLECULAR WEIGHT :
98.16
WISWESSER LINE NOTATION :
QX2&1&1UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
537 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 11,20,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
525 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
525 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 218,427,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
284 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 76,181,1956
Hazard Codes F+:Highlyflammable;
Risk Phrases R10;R22;R51/53
Safety Phrases S61
RIDADR UN 1987
WGK Germany 1
RTECS SC4900000
Packaging Group I; II; III
HS Code 29052990
78-93-3 structure

78-93-3

74-86-2 structure

74-86-2

~99%

77-75-8 structure

77-75-8

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
78-93-3 structure

78-93-3

4301-14-8 structure

4301-14-8

~51%

77-75-8 structure

77-75-8

Literature: Garratt, Dennis G.; Beaulieu, Pierre L.; Morisset, Veronique M. Canadian Journal of Chemistry, 1981 , vol. 59, p. 927 - 934
78-93-3 structure

78-93-3

70277-75-7 structure

70277-75-7

~66%

77-75-8 structure

77-75-8

Literature: Pawar; Chattopadhyay Tetrahedron Asymmetry, 1995 , vol. 6, # 2 p. 463 - 468
1066-26-8 structure

1066-26-8

78-93-3 structure

78-93-3

~%

77-75-8 structure

77-75-8

Literature: Journal of the American Chemical Society, , vol. 69, p. 240 US2106180 , ; Journal of the American Chemical Society, , vol. 60, p. 2882
78-93-3 structure

78-93-3

~%

77-75-8 structure

77-75-8

Literature: Journal of the American Chemical Society, , vol. 63, p. 187 US2385547 , ; US2385548 , ; US2435524 , ; US2385546 , ; Bulletin de la Societe Chimique de France, , vol. <5>8, p. 520 Bulletin de la Societe Chimique de France, , p. 287
14179-94-3 structure

14179-94-3

~%

77-75-8 structure

77-75-8

Literature: Zhurnal Obshchei Khimii, , vol. 10, p. 446,449 Chem. Zentralbl., , vol. 111, # II p. 1567
78-66-0 structure

78-66-0

~%

78-93-3 structure

78-93-3

77-75-8 structure

77-75-8

Literature: US2175581 , ; Zhurnal Obshchei Khimii, , vol. 9, p. 396,399 Chem. Zentralbl., , vol. 110, # II p. 4464
7732-18-5 structure

7732-18-5

14179-94-3 structure

14179-94-3

~%

77-75-8 structure

77-75-8

Literature: Zhurnal Obshchei Khimii, vol. 10, p. 447 Chem. Zentralbl., , vol. 111, # II p. 1567
78-66-0 structure

78-66-0

~%

78-93-3 structure

78-93-3

74-86-2 structure

74-86-2

77-75-8 structure

77-75-8

Literature: US2175581 , ; Zhurnal Obshchei Khimii, vol. 9, p. 399 Chem. Zentralbl., , vol. 110, # II p. 4464
HS Code 29052990
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