ChemicalBook > CAS DataBase List > 1,4-Pentadien-3-ol

1,4-Pentadien-3-ol

Product Name
1,4-Pentadien-3-ol
CAS No.
922-65-6
Chemical Name
1,4-Pentadien-3-ol
Synonyms
Penta-1,4-dien-3-ol;DIVINYL CARBINOL;SKL099;1,4-PENTADIEN-3-OL;1,4-PENTADIENE-3-OL;1,4-PENTADIEN-3-OL 97+%;Diethenylmethyl alcohol;3-Hydroxy-1,4-pentadiene;1,4-Pentadien-3-ol, stabilized, 98%;1,4-Pentadien-3-ol ISO 9001：2015 REACH
CBNumber
CB0335748
Molecular Formula
C5H8O
Formula Weight
84.12
MOL File
922-65-6.mol
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1,4-Pentadien-3-ol Property

Boiling point:
115-116 °C (lit.)
Density 
0.865 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.445(lit.)
Flash point:
86 °F
storage temp. 
2-8°C
solubility 
Chloroform (Sparingly), Methanol (Slightly)
pka
13.68±0.20(Predicted)
form 
Liquid
color 
Clear colorless
BRN 
1735809
Stability:
Volatile
InChI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2
InChIKey
ICMWSAALRSINTC-UHFFFAOYSA-N
SMILES
C=CC(O)C=C
CAS DataBase Reference
922-65-6(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn
Risk Statements 
10-22
RIDADR 
UN 1987 3/PG 3
WGK Germany 
3
HazardClass 
3.2
PackingGroup 
III
HS Code 
29052990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

H302Harmful if swallowed

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P273Avoid release to the environment.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
324663
Product name
1,4-Pentadien-3-ol
Purity
contains 0.4% hydroquinone as stabilizer, ≥96%
Packaging
5g
Price
$133
Updated
2024/03/01
Sigma-Aldrich
Product number
324663
Product name
1,4-Pentadien-3-ol
Purity
contains 0.4% hydroquinone as stabilizer, ≥96%
Packaging
25g
Price
$400
Updated
2024/03/01
TRC
Product number
P227160
Product name
1,4-Pentadien-3-ol
Packaging
1g
Price
$80
Updated
2021/12/16
AK Scientific
Product number
J55590
Product name
1,4-Pentadien-3-ol,contains0.4%hydroquinoneasstabilizer
Packaging
1g
Price
$47
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
71908
Product name
1,4-Pentadien-3-ol
Packaging
5G
Price
$625
Updated
2021/12/16
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1,4-Pentadien-3-ol Chemical Properties,Usage,Production

Uses

Starting material for asymmetric epoxidation.1,2

Uses

1,4-Pentadien-3-ol is a valuable building block in natural product synthesis. This chemical is a substrate employed in synthesising amino-substituted dienes via a bismuth-catalyzed SN1 displacement of alcohols by sulfonamide nucleophiles. Starting material for asymmetric epoxidation.

Structure and conformation

1,4-pentadien-3-ol (CH2=CH-CH(OH)-CH=CH2) is a representative allyl alcohol containing two C=C bonds and one hydroxyl group. It has a complicated conformational landscape arising from the rotations of three σ-bonds, i.e. three dihedral angles of ?(C7=C6-C1-O3), ?(C5=C4-C1-O3), and ?(H8-O3-C1-H2). Experiments and ab initio calculations revealed that the 1,4-pentadien-3-ol monomer prefers a configuration with one vinyl being syn to the hydroxyl oxygen and the hydroxyl hydrogen toward the skew-arranged vinyl, which therefore makes possible simultaneous C-H···O and O-H···π interactions[1].

References

[1] Zhen Wang. “Conformations and structures of 1,4-pentadien-3-ol and its water complex characterized by rotational spectroscopy.” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 267 (2022): Article 120589.

1,4-Pentadien-3-ol Preparation Products And Raw materials

Raw materials

Preparation Products

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1,4-Pentadien-3-ol Suppliers

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View Lastest Price from 1,4-Pentadien-3-ol manufacturers

Henan Fengda Chemical Co., Ltd
Product
1,4-Pentadien-3-ol 922-65-6
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-26
Chongqing Chemdad Co.,Ltd
Product
1,4-Pentadien-3-ol 922-65-6
Price
US $600.00/KG
Min. Order
1KG
Purity
98
Supply Ability
1000kg
Release date
2019-06-17
Shaanxi Dideu Medichem Co. Ltd
Product
1,4-Pentadien-3-ol 922-65-6
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20T
Release date
2020-01-10

922-65-6, 1,4-Pentadien-3-olRelated Search:

Dicyclopentadiene 1,4-PENTADIENE 1,3-Cyclopentadiene METHYLCYCLOPENTADIENE DIMER 1,2-PENTADIENE TRANS-1,3-PENTADIENE pent-1-yn-3-one pentan-2-amine hydrochloride 1,4-pentadiyn-3-ol pent-4-en-2-yn-1-ol 3,3,6,6-Tetramethoxy-1,4-cyclohexadiene Abscisic acid (+)-Abscisic acid Pentachlorophenol 1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene SAFFLOWER YELLOW 3-Methyl-2-buten-1-thiol 3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol

  • Penta-1,4-dien-3-ol
  • DIVINYL CARBINOL
  • 1,4-PENTADIEN-3-OL
  • 1,4-PENTADIENE-3-OL
  • 3-Hydroxy-1,4-pentadiene
  • Diethenylmethyl alcohol
  • 1,4-Pentadien-3-ol, stabilized, 98%
  • 1,4-Pentadien-3-ol, stabilized with 0.4% hydroquinone, 98%, stabilized
  • 1,4-PENTADIEN-3-OL 97+%
  • 1,4-Pentadien-3-ol contains 0.4% hydroquinone as stabilizer, 98%
  • 1,4-Pentadien-3-ol ISO 9001：2015 REACH
  • SKL099
  • Penta-1,4-dien-3-ol (0.1% hydroquinone stabiliser)
  • 1,4-Pentadien-3-ol (6CI, 7CI, 8CI, 9CI, ACI)
  • 1,4-Pentadien-3-ol contains 0.4% hydroquinone as stabilizer, >=96%
  • 1,4-Pentadien-3-ol(stabilized with hydroquinone)
  • 922-65-6
  • 922-56-6
  • CH2CHCHOHCHCH2
  • Acyclic
  • Building Blocks
  • Alkenes
  • Organic Building Blocks
  • Acyclic
  • Alkenes
  • Building Blocks
  • Chemical Synthesis
  • Organic Building Blocks