3-Buten-1-ol

HCID 69389
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
627-27-0
Standard SMILES
C=CCCO
InChIKey
ZSPTYLOMNJNZNG-UHFFFAOYSA-N
Molecular formula
C4H8O
Average molar mass
72.11 g/mol
Monoisotopic mass
72.05751487

Names & identifiers

Preferred name
3-Buten-1-ol
IUPAC
but-3-en-1-ol
English name
3-Buten-1-ol
Molecular formula
C4H8O
Molecular weight
72.11

Names & synonyms

3-Buten-1-ol627-27-0but-3-en-1-olAllylcarbinol3-Butenyl alcohol1-Buten-4-olVinylethyl alcohol3-Butene-1-OLMFCD00002959CH2=CHCH2CH2OHBUTEN-(3)-O1-(L)3-Buten-1-O1
Show more names
4-HYDROXY-1-BUTENE3-buten-1-0l
3DB2KRM1I9NSC-60194Homoallyl AlcoholNSC 60194UNII-3DB2KRM1I93-butenolhydroxy-3-butene3-butene-ol

Database identifiers

CAS
627-27-0
PubChem CID
69389
DTXSID
DTXSID2060836
ChEBI
CHEBI:193941
UNII
3DB2KRM1I9
EC Number
210-991-3
Nikkaji
J134.573G、J2.040.003J

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
5

Experimental & physicochemical properties

Boiling Point113.50 °C. @ 760.00 mm Hg
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index · 3 items

609；620；640；640；641；663；620；640；640；641；640；641；638；617.8；624.1；629

596；597

1171；1170；1149；1185；1187；1209；1185；1187；1209；1178；1137；1190.1；1180.6

Physicochemical properties

Melting point
-31.44 °C · -31.44°C (estimate)
Boiling point
112 · 112-114 °C (lit.)
Density
0.838 g/mL · 0.838 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.421(lit.)
Flash point
90 °F · 90 °F
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (54.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (45.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (44.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (53.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 193 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 3-Buten-2-ol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (99%)；Eye Dam. 1 (54.9%)；Eye Irrit. 2 (45.1%)；STOT SE 3 (44.6%)

Regulatory information

Regulatory Information3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1987 3/PG 3
hs_code
29052990
risk_code
10-36/37/38

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

General Manufacturing Information3-Buten-1-ol: ACTIVE
Applications · 5 items

Description3-Buten-1-ol(627-27-0) is a homoallyl alcohol. It is employed in a study of the Mn-catalyzed hydrohydrazination of olefins. It is also used in a study of the conversion of propargylic acetates to ethers catalyzed by ferric chloride1. It can also be used as a starting reagent in asymmetric total synthesis of natural seimatopolide B. It was also used in the synthesis of catalytic bimetallic nanoparticles2.

Uses3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.

Uses3-Buten-1-ol is employed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers catalyzed by ferric chloride.

UsesEmployed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers cataylzed by ferric chloride.

General Description3-Buten-1-ol is a homoallyl alcohol that can be prepared by the dehydration of 1,4-butanediol using cerium catalyst. The intramolecular hydrogen bonding of 3-buten-1-ol has been studied using FT-IR and 1H NMR spectroscopic data. Its microwave spectrum has been recorded and analyzed. The alkylation reaction of 3-buten-1-ol using titanium-organoaluminum system has been studied. Its gas-phase enthalpy of formation has been reported to be -147.3 ± 1.8kJ mol-1.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: 3-Buten-1-ol is a primary alcohol.

Related reactions

104 records
New reaction record

Compound notes

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