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Crotyl alcohol, mixture of cis and trans - 95%, high purity , CAS No.6117-91-5

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Crotyl alcohol, mixture of cis and trans - 95%, high purity , CAS No.6117-91-5

2 Citations

COA

Grade & Purity:

≥95%

Cas Number: 6117-91-5
Molecular Weight: 72.11
Beilstein Registry Number: 1361395
EC Number: 228-086-7
MDL number: MFCD00002923
PubChem CID: 637922
PubChem SID: 488190864

In stock

Item Number

C106252

Grouped product items
SKU	Size	Availability	Price
C106252-5ml	5ml	9	$11.90
C106252-25ml	25ml	3	$44.90
C106252-100ml	100ml	1	$125.90
C106252-500ml	500ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$564.90

View related series

Fatty acyl (130) Oxygenated compounds (806)

Basic Description

Synonyms	CAS-6117-91-5 \| CHEBI:62891 \| DTXCID2030855 \| Crotonyl alcohol \| 2-Buten-1-ol, (2E)- \| 2-(E)-Buten-1-ol \| 2-01-00-00480 (Beilstein Handbook Reference) \| Crotyl alcohol (VAN) \| 2-Buten-1-ol \| J-501995 \| Q63395546 \| UNII-D7F26UNN0B \| Z431953396 \| CH3CH=CHCH
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Primary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488190864
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190864
IUPAC Name	(E)-but-2-en-1-ol
INCHI	InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
InChIKey	WCASXYBKJHWFMY-NSCUHMNNSA-N
Smiles	CC=CCO
Isomeric SMILES	C/C=C/CO
WGK Germany	3
RTECS	EM9275000
UN Number	1987
Molecular Weight	72.11
Beilstein	1361395
Reaxy-Rn	1719374
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719374&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot Number	Certificate Type	Date	Item
C2301689	Certificate of Analysis	Dec 12, 2024	C106252
C2301681	Certificate of Analysis	Dec 12, 2024	C106252
C2301680	Certificate of Analysis	Dec 12, 2024	C106252
C2301684	Certificate of Analysis	Dec 10, 2024	C106252
C2301679	Certificate of Analysis	Dec 10, 2024	C106252
C2215044	Certificate of Analysis	Dec 25, 2023	C106252
C2215049	Certificate of Analysis	Dec 25, 2023	C106252
K2123245	Certificate of Analysis	Aug 18, 2023	C106252
I2115044	Certificate of Analysis	Jun 13, 2023	C106252
C2301683	Certificate of Analysis	Jan 10, 2023	C106252
C2204061	Certificate of Analysis	May 21, 2022	C106252
C2215051	Certificate of Analysis	Feb 21, 2022	C106252
C2218664	Certificate of Analysis	Feb 21, 2022	C106252

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Chemical and Physical Properties

Solubility	Miscible with water.
Sensitivity	Air sensitive
Refractive Index	1.427
Flash Point(°F)	98°F
Flash Point(°C)	34℃
Boil Point(°C)	121-122°C
Molecular Weight	72.110 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	72.0575 Da
Monoisotopic Mass	72.0575 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xijun Li, Sifan Zhang, Lihua Zhu, Jun Liu, Huan Zhang, Ning Zhao, Bing Hui Chen. (2023) PtMx/SBA-15 (M = Co, Cu, Ni and Zn) bimetallic catalysts for crotonaldehyde selective hydrogenation. MATERIALS CHEMISTRY AND PHYSICS, 294 (127003).
2. Fen Xue, Yabin Zhang, Fengwei Zhang, Xiaomin Ren, Hengquan Yang. (2017) Tuning the Interfacial Activity of Mesoporous Silicas for Biphasic Interface Catalysis Reactions. ACS Applied Materials & Interfaces, 9 (9): (8403–8412).

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