2-Metbut-1-en-1yne

Modify Date: 2026-07-29 07:27:20

2-Metbut-1-en-1yne structure	Common Name	2-Metbut-1-en-1yne
	CAS Number	78-80-8	Molecular Weight	66.10110
	Density	0.695 g/mL at 25 °C(lit.)	Boiling Point	32 °C(lit.)
	Molecular Formula	C₅H₆	Melting Point	-113 °C
	MSDS	N/A	Flash Point	20 °F

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	2-Methyl-1-buten-3-yne
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	0.695 g/mL at 25 °C(lit.)
Boiling Point	32 °C(lit.)
Melting Point	-113 °C
Molecular Formula	C₅H₆
Molecular Weight	66.10110
Flash Point	20 °F
Exact Mass	66.04700
LogP	1.19570
Vapour Pressure	8.96 psi ( 20 °C)
Index of Refraction	n20/D 1.416(lit.)
InChIKey	BOFLDKIFLIFLJA-UHFFFAOYSA-N
SMILES	C#CC(=C)C

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

2-Metbut-1-en-1yne MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EN0960000

CHEMICAL NAME :: 1-Buten-3-yne, 2-methyl-

CAS REGISTRY NUMBER :: 78-80-8

BEILSTEIN REFERENCE NO. :: 0969175

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H6

MOLECULAR WEIGHT :: 66.11

WISWESSER LINE NOTATION :: 1UU1Y1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 639 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 350 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12600 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(4),55,1987

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 8,100,1956

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	F+,Xn,F,Xi
Risk Phrases	12-20/22-36/37/38-65
Safety Phrases	16-26-36/37-62
RIDADR	UN 3295 3/PG 1
WGK Germany	3
RTECS	EN0960000
Packaging Group	I

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:115-19-5 3-Methyl butynol CAS#:40459-85-6 1,1-dichloroeth... CAS#:56184-83-9 2-methyl-N,N-di... CAS#:2696-26-6 2,5-dimethylhex...
CAS#:1111-97-3 3-Chloro-3-meth... CAS#:64-17-5 Ethanol CAS#:108176-10-9 Cyclopropene, 1... CAS#:141-52-6 Sodium ethoxide
CAS#:115-11-7 Isobutylene CAS#:74-86-2 Acetylene
DownStream 7
CAS#:1809-02-5 2-chloro-3-meth... CAS#:76397-24-5 4-chloro-3-meth... CAS#:1111-97-3 3-Chloro-3-meth... CAS#:18387-60-5 2-Methyl-4-trim...
CAS#:563-45-1 3-Methylbut-1-ene CAS#:513-35-9 2-Methylbut-2-ene CAS#:563-46-2 2-Methylbut-2-ene

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2-methylbut-1-en-3-yne

EINECS 201-144-9

MFCD00008599

2-Metbut-1-en-1yne

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 2-Methyl-1-buten-3-yne?

A: SMILES notation of 2-Methyl-1-buten-3-yne is C#CC(=C)C.

Q: What is the English name of 2-Methyl-1-buten-3-yne?

A: The English name of 2-Methyl-1-buten-3-yne is 2-Methyl-1-buten-3-yne.

Q: What is the InChIKey of 2-Methyl-1-buten-3-yne?

A: InChIKey of 2-Methyl-1-buten-3-yne is BOFLDKIFLIFLJA-UHFFFAOYSA-N.

Q: What is the CAS number of 2-Methyl-1-buten-3-yne?

A: CAS number of 2-Methyl-1-buten-3-yne is 78-80-8.

Q: What is the melting point of 2-Methyl-1-buten-3-yne?

A: Melting point of 2-Methyl-1-buten-3-yne is -113 °C.

Q: What are the upstream materials of 2-Methyl-1-buten-3-yne?

A: Related upstream materials(CAS) of 2-Methyl-1-buten-3-yne: 115-19-5;40459-85-6;56184-83-9;2696-26-6;1111-97-3;64-17-5;108176-10-9;141-52-6;115-11-7;74-86-2.

Q: What is the molecular formula of 2-Methyl-1-buten-3-yne?

A: Molecular formula of 2-Methyl-1-buten-3-yne is C5H6.

Q: What are the downstream products of 2-Methyl-1-buten-3-yne?

A: Related downstream products(CAS) of 2-Methyl-1-buten-3-yne: 1809-02-5;76397-24-5;1111-97-3;18387-60-5;563-45-1;513-35-9;563-46-2.

Q: What is the boiling point of 2-Methyl-1-buten-3-yne?

A: Boiling point of 2-Methyl-1-buten-3-yne is 32 °C(lit.).

Q: What is the LogP of 2-Methyl-1-buten-3-yne?

A: LogP of 2-Methyl-1-buten-3-yne is 1.19570.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 2-Metbut-1-en-1yne
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1-Buten-3-yne,2-methyl- (6CI,8CI,9CI)
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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2-Metbut-1-en-1yne

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MSDS

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CHEMICAL IDENTIFICATION

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ACUTE TOXICITY DATA

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Precursor & DownStream

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2-Metbut-1-en-1yne | FAQ

2-Metbut-1-en-1ynefactory

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.