3-Buten-1-ol

• CAS: 627-27-0
• Catalog Number: ACM627270
• Category: Alkenes
• Molecular Weight: 72.107g/mol
• Molecular Formula: C4H8O
• Description: 3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.
• Synonyms: 4-Hydroxy-1-butene; V6966; 79116-EP2305698A2; PubChem18909; UNII-3DB2KRM1I9; 3-Buten-1-O1; 627-27-0; ZINC1530356; KSC353Q2N; NSC60194
• IUPAC Name: but-3-en-1-ol
• Canonical SMILES: C=CCCO
• InChI: InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
• InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N
• Melting Point: 193ºC
• Flash Point: 32ºC
• Density: 0.838
• Appearance: Clear colorless liquid
• Application: 3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.
• Storage: Flammables area
• Complexity: 24.8
• Covalently-Bonded Unit Count: 1
• EC Number: 210-991-3
• Exact Mass: 72.058g/mol
• Hazard Codes: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 5
• HS Code: 29052990
• LogP: 0.55480
• MDL Number: MFCD00002959
• Monoisotopic Mass: 72.058g/mol
• NSC Number: 60194
• PSA: 2.23
• Refractive Index: 1.42-1.422
• RIDADR: UN 1987
• Rotatable Bond Count: 2
• Stability: Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents. Flammable.
• Storage Conditions: Flammables area
• Topological Polar Surface Area: 20.2A^2
• UNII: 3DB2KRM1I9
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of 3-Buten-1-ol?

The PubChem CID of 3-Buten-1-ol is 69389.

What is the molecular formula of 3-Buten-1-ol?

The molecular formula of 3-Buten-1-ol is C4H8O.

What is the molecular weight of 3-Buten-1-ol?

The molecular weight of 3-Buten-1-ol is 72.11 g/mol.

What is the IUPAC name of 3-Buten-1-ol?

The IUPAC name of 3-Buten-1-ol is but-3-en-1-ol.

What is the InChI of 3-Buten-1-ol?

The InChI of 3-Buten-1-ol is InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2.

What is the InChIKey of 3-Buten-1-ol?

The InChIKey of 3-Buten-1-ol is ZSPTYLOMNJNZNG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Buten-1-ol?

The canonical SMILES of 3-Buten-1-ol is C=CCCO.

What is the CAS number of 3-Buten-1-ol?

The CAS number of 3-Buten-1-ol is 627-27-0.

What is the XLogP3-AA value of 3-Buten-1-ol?

The XLogP3-AA value of 3-Buten-1-ol is 0.6.

How many hydrogen bond donor counts does 3-Buten-1-ol have?

3-Buten-1-ol has 1 hydrogen bond donor count.

Synthetic Use

Downstream Synthesis Route 1

• 50-00-0
• 627-27-0

• 1768-64-5

Reference: [1] Bulletin de la Societe Chimique de France, 1956, p. 824
[2] Chemische Berichte, 1955, vol. 88, p. 1053,1059

Downstream Synthesis Route 2

• 7647-01-0
• 50-00-0
• 627-27-0

• 1768-64-5

Reference: [1] Chemische Berichte, 1955, vol. 88, p. 1053,1059

Downstream Synthesis Route 3

• 627-27-0
• 4431-83-8

• 1768-64-5

Reference: [1] Journal of Organic Chemistry, 1989, vol. 54, # 11, p. 2748 - 2751

Downstream Synthesis Route 4

• 50-00-0
• 627-27-0

• 1768-64-5

Reference: [1]Zhurnal Obshchei Khimii,1948,vol. 18,p. 1804,1806
Chem.Abstr.,1949,p. 3818
[2]Zhurnal Obshchei Khimii,1948,vol. 18,p. 1804,1806
Chem.Abstr.,1949,p. 3818

Downstream Synthesis Route 5

• 627-27-0

• 3068-00-6

Reference: [1]Patent: EP1671936,2006,A2 .Location in patent: Page/Page column 9

Downstream Synthesis Route 6

• 627-27-0

• 26978-64-3

Reference: [1]Patent: US2793229,1954,

* For details of the synthesis route, please refer to the original source to ensure accuracy.