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496839

Sigma-Aldrich

3-Buten-1-ol

96%

Synonym(s):

Allylcarbinol

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About This Item

Linear Formula:
CH2=CHCH2CH2OH
CAS Number:
627-27-0
Molecular Weight:
72.11
Beilstein:
1633504
EC Number:
210-991-3
MDL number:
MFCD00002959
UNSPSC Code:
12352100
PubChem Substance ID:
24873086
NACRES:
NA.22
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Assay

96%

refractive index

n20/D 1.421 (lit.)

bp

112-114 °C (lit.)

density

0.838 g/mL at 25 °C (lit.)

functional group

allyl
hydroxyl

SMILES string

OCCC=C

InChI

1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2

InChI key

ZSPTYLOMNJNZNG-UHFFFAOYSA-N

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General description

3-Buten-1-ol is a homoallyl alcohol that can be prepared by the dehydration of 1,4-butanediol using cerium catalyst.[1] The intramolecular hydrogen bonding of 3-buten-1-ol has been studied using FT-IR and 1H NMR spectroscopic data.[2] Its microwave spectrum has been recorded and analyzed.[3] The alkylation reaction of 3-buten-1-ol using titanium-organoaluminum system has been studied.[4] Its gas-phase enthalpy of formation has been reported to be -147.3 ± 1.8kJ mol-1.[5]

Application

Employed in a study of the Mn-catalyzed hydrohydrazination of olefins.[6] Also used in a study of the conversion of propargylic acetates to ethers cataylzed by ferric chloride.[7]

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

91.4 °F - closed cup

Flash Point(C)

33 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000230218
0000230218
MKCP2181
MKCG5909
MKCD3770

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Jérôme Waser et al.
Journal of the American Chemical Society, 128(35), 11693-11712 (2006-08-31)
The discovery, study, and implementation of the Co- and Mn-catalyzed hydrohydrazination and hydroazidation reactions of olefins are reported. These reactions are equivalent to direct hydroaminations of C-C double bonds with protected hydrazines or hydrazoic acid but are based on a
Synlett, 2278-2278 (2006)
Transition metal promoted alkylations of unsaturated alcohols: the methylation and ethylation of 3-buten-1-ol using titanium tetrachloride-organoaluminum systems.
Youngblood AV, et al.
Journal of Organometallic Chemistry, 146(3), 221-228 (1978)
The conformational composition of 3-buten-1-ol, the importance of intramolecular hydrogen bonding.
Bakke JM and Bjerkeseth LH.
Journal of Molecular Structure, 470(3), 247-263 (1998)
Ederley Vélez et al.
The journal of physical chemistry. A, 109(34), 7832-7838 (2006-07-13)
The enthalpies of combustion and vaporization of 3-buten-1-ol and 3-butyn-1-ol have been measured by static bomb combustion calorimetry and correlation gas chromatography techniques, respectively, and the gas-phase enthalpies of formation, Delta(f)H degrees (m)(g), have been determined, the values being -147.3
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Questions

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  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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