3-Methyl-1-penten-4-yn-3-ol

Modify Date: 2025-08-23 18:07:54

3-Methyl-1-penten-4-yn-3-ol Structure
3-Methyl-1-penten-4-yn-3-ol structure
Common Name 3-Methyl-1-penten-4-yn-3-ol
CAS Number 3230-69-1 Molecular Weight 96.127
Density 0.9±0.1 g/cm3 Boiling Point 127.7±20.0 °C at 760 mmHg
Molecular Formula C6H8O Melting Point N/A
MSDS N/A Flash Point 29.2±14.1 °C

 Names

Name 3-methylpent-1-en-4-yn-3-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 127.7±20.0 °C at 760 mmHg
Molecular Formula C6H8O
Molecular Weight 96.127
Flash Point 29.2±14.1 °C
Exact Mass 96.057518
PSA 20.23000
LogP 0.67
Vapour Pressure 5.0±0.5 mmHg at 25°C
Index of Refraction 1.468

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB4950000
CHEMICAL NAME :
1-Penten-4-yn-3-ol, 3-methyl-
CAS REGISTRY NUMBER :
3230-69-1
BEILSTEIN REFERENCE NO. :
1740552
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H8-O
MOLECULAR WEIGHT :
96.14
WISWESSER LINE NOTATION :
1UU1XQ1&1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 107,459,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 107,459,1953

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S36-S37/39-S26
RIDADR UN 1760 8/PG 2
WGK Germany 1
RTECS SB4950000
Hazard Class 8.0
HS Code 2905290000

 Synthetic Route

~69%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Hoffmann-La Roche Inc. Patent: US3950446 A1, 1976 ;

~61%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Hoffmann-La Roche Inc. Patent: US3950446 A1, 1976 ;

~87%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Bychkova, N. A.; Zotchik, N. V.; Motorina, Zh. N.; Rubtsov, I. A. J. Gen. Chem. USSR (Engl. Transl.), 1985 , vol. 55, # 5 p. 1111 - 1117,990 - 995

~58%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: BASF AKTIENGESELLSCHAFT Patent: WO2004/18399 A1, 2004 ; Location in patent: Page/Page column 5-6 ;

~%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: US4320236 A1, ;

~%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Russian Journal of Physical Chemistry, , vol. 64, # 1 p. 43 - 46 Zhurnal Fizicheskoi Khimii, , vol. 64, # 1 p. 83 - 87

~95%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Jung, Michael E.; Duclos, Brian A. Tetrahedron Letters, 2004 , vol. 45, # 1 p. 107 - 109

~73%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Gabriele; Salerno; Lauria Journal of Organic Chemistry, 1999 , vol. 64, # 21 p. 7687 - 7692

~97%

3-Methyl-1-penten-4-yn-3-ol Structure

3-Methyl-1-pent...

CAS#:3230-69-1

Literature: Zacharias; Pushpakumari; Sreevalsan; Pillai Indian Journal of Chemistry - Section B Organic Chemistry Including Medicinal Chemistry, 1991 , vol. 30, # 1 p. 59 - 62

 Customs

HS Code 2905290000
Summary 2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

3-Methyl-1-penten-4-yn-3-ol
1UU1XQ1&1U1
3-Methyl pent-4-en-l-yn-3-0L
EINECS 221-770-6
3-methyl-4-penten-1-yn-3-ol
3-methyl-pent-1-en-4-yne-3-ol
1-Penten-4-yn-3-ol,3-methyl
1740552
3-methyl-1-pentene-4-yn-3-ol
MFCD01709006
3-Methylpent-1-en-4-yn-3-ol
1-Penten-4-yn-3-ol, 3-methyl-
3-methyl-pent-1-en-4-yn-3-ol
3-Methyl-pent-4-en-1-yn-3-Ol
Ethynyl methyl vinyl carbinol
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