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Citronellyl formate - 92%, high purity , CAS No.105-85-1

COA

Grade & Purity:

≥92%

Cas Number: 105-85-1
Molecular Weight: 184.28
PubChem CID: 7778
PubChem SID: 504751452

In stock

Item Number

C165689

Grouped product items
SKU	Size	Availability	Price
C165689-5g	5g	3	$9.90
C165689-100g	100g	2	$13.90
C165689-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$50.90

Basic Description

Synonyms	Citronellyl formate \| 105-85-1 \| 3,7-dimethyloct-6-en-1-yl formate \| 6-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE \| Citronellol formate \| Formic acid, citronellyl ester \| Citronellyl methanoate \| 2,6-Dimethyl-2-octen-8-yl formate \| 3,7-Dimethyl-6-octen-1-yl formate \| 3,7-dimethylo
Specifications & Purity	≥92%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty alcohol esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohol esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty alcohol esters
Alternative Parents	Acyclic monoterpenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol ester - Monoterpenoid - Acyclic monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
External Descriptors	Acyclic monoterpenoids
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

Pubchem Sid	504751452
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751452
IUPAC Name	3,7-dimethyloct-6-enyl formate
INCHI	InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
InChIKey	DZNVIZQPWLDQHI-UHFFFAOYSA-N
Smiles	CC(CCC=C(C)C)CCOC=O
Isomeric SMILES	CC(CCC=C(C)C)CCOC=O
Molecular Weight	184.28
Reaxy-Rn	1723215
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723215&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
A2503003	Certificate of Analysis	Dec 30, 2024	C165689
L2419280	Certificate of Analysis	Dec 30, 2024	C165689
L2117025	Certificate of Analysis	Oct 18, 2024	C165689
L2117022	Certificate of Analysis	Oct 18, 2024	C165689
K2102394	Certificate of Analysis	Aug 19, 2024	C165689
K2102431	Certificate of Analysis	Aug 19, 2024	C165689
K2102435	Certificate of Analysis	Aug 19, 2024	C165689
K2102540	Certificate of Analysis	Aug 19, 2024	C165689
K2102541	Certificate of Analysis	Aug 19, 2024	C165689
F2310703	Certificate of Analysis	Sep 29, 2021	C165689

Chemical and Physical Properties

Refractive Index	1.446
Boil Point(°C)	235 °C
Molecular Weight	184.270 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	184.146 Da
Monoisotopic Mass	184.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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