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1,6-Heptadien-4-ol - 97%, high purity , CAS No.2883-45-6

COA

Grade & Purity:

≥97%

Cas Number: 2883-45-6
Molecular Weight: 112.17
MDL number: MFCD00008663
PubChem CID: 17902

In stock

Item Number

H169289

Grouped product items
SKU	Size	Availability	Price
H169289-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
H169289-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
H169289-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$301.90

Discover 1,6-Heptadien-4-ol by Aladdin Scientific in 97% for only $28.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Hepta-1,6-dien-4-ol \| 1,6-HEPTADIEN-4-OL \| 2883-45-6 \| 1,6-Heptadiene-4-ol \| MFCD00008663 \| AI3-37263 \| VD28S33WW8 \| NSC-97509 \| EINECS 220-742-0 \| NSC 97509 \| BRN 1736942 \| diallylcarbinol \| NSC97509 \| 4-hydroxy-1,6-heptadiene \| UNII-VD28S33WW8 \| 4-01-00-02249 (Beilstein Handbook Ref
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	1,6-Heptadien-4-ol (monoterpene alcohol) was used as the internal standard in the quantitation and identification of the important aroma components in wine. It was used to study the co- and terpolymerization reactions of carbon monoxide and propene with dicationic biphosphine palladium(II) as the catalyst

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	Secondary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,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

Names and Identifiers

IUPAC Name	hepta-1,6-dien-4-ol
INCHI	InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKey	UTGFOWQYZKTZTN-UHFFFAOYSA-N
Smiles	C=CCC(CC=C)O
Isomeric SMILES	C=CCC(CC=C)O
WGK Germany	3
RTECS	MI5450000
Molecular Weight	112.17
Reaxy-Rn	1736942
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736942&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°F)	104 °F
Flash Point(°C)	40 °C
Boil Point(°C)	151 °C
Molecular Weight	112.170 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	112.089 Da
Monoisotopic Mass	112.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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