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Linalyl formate - 90%, high purity , CAS No.115-99-1

COA

Grade & Purity:

≥90%

Cas Number: 115-99-1
Molecular Weight: 182.26
MDL number: MFCD00046140
PubChem CID: 61040
PubChem SID: 488183433

In stock

Item Number

L475392

Grouped product items
SKU	Size	Availability	Price
L475392-5g	5g	5	$13.90
L475392-25g	25g	5	$47.90
L475392-100g	100g	4	$130.90
L475392-500g	500g	1	$452.90

Basic Description

Synonyms	LINOLOOL, FORMATE \| 3,7-dimethylocta-1,6-dien-3-yl formate \| SCHEMBL135163 \| Tox21_303366 \| Q27258072 \| CAS-115-99-1 \| 3,7-Dimethyl-1,6-octadien-3-yl formate \| EINECS 204-120-6 \| NCGC00257272-01 \| NSC46116 \| NSC-46116 \| JZOCDHMHLGUPFI-UHFFFAOYSA-N \| FEMA
Specifications & Purity	≥90%
Product Description	Description Linalyl formate is found in the essential oils of rosewood, lemongrass andMurraya koenigiifruits oil.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Acyclic monoterpenoids
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	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 acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
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

Pubchem Sid	488183433
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183433
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl formate
INCHI	InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
InChIKey	JZOCDHMHLGUPFI-UHFFFAOYSA-N
Smiles	CC(=CCCC(C)(C=C)OC=O)C
Isomeric SMILES	CC(=CCCC(C)(C=C)OC=O)C
Molecular Weight	182.26
Reaxy-Rn	1722875
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722875&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2308258	Certificate of Analysis	Feb 17, 2023	L475392
D2308259	Certificate of Analysis	Feb 17, 2023	L475392
D2308261	Certificate of Analysis	Feb 17, 2023	L475392
D2308416	Certificate of Analysis	Feb 17, 2023	L475392
D2308264	Certificate of Analysis	Feb 17, 2023	L475392
D2308256	Certificate of Analysis	Feb 17, 2023	L475392
I2406222	Certificate of Analysis	Feb 17, 2023	L475392
D2308257	Certificate of Analysis	Feb 17, 2023	L475392

Chemical and Physical Properties

Refractive Index	n20/D 1.455 (lit.)
Flash Point(°F)	186.8 °F - closed cup
Flash Point(°C)	86 °C - closed cup
Boil Point(°C)	100-103℃/10mmHg (lit.)
Molecular Weight	182.260 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	182.131 Da
Monoisotopic Mass	182.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202.000
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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