methylpentynol

Modify Date: 2025-08-20 12:22:07

methylpentynol structure	Common Name	methylpentynol
	CAS Number	77-75-8	Molecular Weight	98.143
	Density	0.9±0.1 g/cm3	Boiling Point	120.5±8.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₀O	Melting Point	-30ºC
	MSDS	N/A	Flash Point	26.7±0.0 °C

Name	3-Methyl-1-pentyn-3-ol
Synonym	More Synonyms

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
InChIKey	QXLPXWSKPNOQLE-UHFFFAOYSA-N
SMILES	C#CC(C)(O)CC

methylpentynol MSDS(Chinese)

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

2-Butanone

CAS#:78-93-3

Acetylene

CAS#:74-86-2

~99%

methylpentynol

CAS#: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

2-Butanone

CAS#:78-93-3

Bromo(ethynyl)m...

CAS#:4301-14-8

~51%

methylpentynol

CAS#:77-75-8

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

2-Butanone

CAS#:78-93-3

lithium acetyli...

CAS#:70277-75-7

~66%

methylpentynol

CAS#:77-75-8

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

sodium acetylide

CAS#:1066-26-8

2-Butanone

CAS#:78-93-3

methylpentynol

CAS#: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

2-Butanone

CAS#:78-93-3

methylpentynol

CAS#: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

3-chloro-3-meth...

CAS#:14179-94-3

methylpentynol

CAS#:77-75-8

Literature: Zhurnal Obshchei Khimii, , vol. 10, p. 446,449 Chem. Zentralbl., , vol. 111, # II p. 1567

UNII:GFO2D7A38Q

CAS#:78-66-0

2-Butanone

CAS#:78-93-3

methylpentynol

CAS#:77-75-8

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

Water

CAS#:7732-18-5

3-chloro-3-meth...

CAS#:14179-94-3

methylpentynol

CAS#:77-75-8

Literature: Zhurnal Obshchei Khimii, vol. 10, p. 447 Chem. Zentralbl., , vol. 111, # II p. 1567

UNII:GFO2D7A38Q

CAS#:78-66-0

2-Butanone

CAS#:78-93-3

Acetylene

CAS#:74-86-2

methylpentynol

CAS#:77-75-8

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

Precursor 8
CAS#:78-93-3 2-Butanone CAS#:74-86-2 Acetylene CAS#:4301-14-8 Bromo(ethynyl)m... CAS#:70277-75-7 lithium acetyli...
CAS#:1066-26-8 sodium acetylide CAS#:14179-94-3 3-chloro-3-meth... CAS#:78-66-0 UNII:GFO2D7A38Q CAS#:7732-18-5 Water
DownStream 9
CAS#:100709-97-5 3-methylpent-1-... CAS#:10575-70-9 1-bromo-3-methy... CAS#:4549-74-0 (E)-3-Methyl-1,... CAS#:355-37-3 1H-Tridecafluor...
CAS#:55756-24-6 1H-Perfluorooct... CAS#:565-62-8 3-methyl-3-pent... CAS#:14179-94-3 3-chloro-3-meth... CAS#:32337-74-9 1-chloro-3-meth...
CAS#:918-85-4 1-Penten-3-ol,3...

HS Code	29052990

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535

Name: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...
Source: NCGC
External Id: CYP3A4437

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2D6395

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) sign...
Source: 824
Target: N/A
External Id: MDAV150

Name: Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2C9536

Name: Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H...
Source: Southern Research Institute
Target: CFTR
External Id: CF Folding

Name: qHTS assay for small molecules that induce genotoxicity in human embryonic kidney cel...
Source: 824
Target: RecName: Full=ATPase family AAA domain-containing protein 5; AltName: Full=Chromosome fragility-associated gene 1 protein
External Id: ELG271

Name: Choleostatic liver toxicity, either proven histopathologically or where the ratio of ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3137727

Total 90, Current Page 1 of 9

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EINECS 201-055-5

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: methylpentynol
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Methyl-1-pentyn-3-ol
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: methylpentynol
Price: ￥108.0/25ml ￥338.0/100ml
Purity: 98.0%
Delivery: 3 Day
Contact: Liu jia
Email: 2130147988@qq.com

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methylpentynol

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methylpentynolBioassay

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.