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Linalyl butyrate - ≥95%, high purity , CAS No.78-36-4

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 78-36-4
Molecular Weight: 224.34
EC Number: 201-109-8
MDL number: MFCD00048716
PubChem CID: 62321
PubChem SID: 488183559

In stock

Item Number

L136469

Grouped product items
SKU	Size	Availability	Price
L136469-5g	5g	3	$28.90
L136469-25g	25g	5	$99.90
L136469-250g	250g	2	$897.90

View related series

terpenes (123)

Basic Description

Synonyms	AI3-24201 \| FHLGUOHLUFIAAA-UHFFFAOYSA-N \| Q27268463 \| Linalyl butanoate \| 3,7-Dimethylocta-1,6-dien-3-yl butyrate \| FEMA 2639 \| UNII-7K9F6ZOH3S \| Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester (8CI) \| DTXSID20861635 \| 3,7-Dimethyl-1,6-octadien-3-yl bu
Specifications & Purity	≥95%
Shipped In	Normal

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	Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyclic monoterpenoid - Fatty acid ester - Fatty acyl - 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	488183559
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183559
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl butanoate
INCHI	InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChIKey	FHLGUOHLUFIAAA-UHFFFAOYSA-N
Smiles	CCCC(=O)OC(C)(CCC=C(C)C)C=C
Isomeric SMILES	CCCC(=O)OC(C)(CCC=C(C)C)C=C
Molecular Weight	224.34
Reaxy-Rn	1710120
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1710120&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
D1628078	Certificate of Analysis	Jul 09, 2025	L136469
E2326763	Certificate of Analysis	Mar 03, 2025	L136469
E2326906	Certificate of Analysis	Mar 03, 2025	L136469
E2326875	Certificate of Analysis	Mar 03, 2025	L136469
E2326770	Certificate of Analysis	Mar 03, 2025	L136469
E2326896	Certificate of Analysis	Mar 03, 2025	L136469
E2327308	Certificate of Analysis	Mar 03, 2025	L136469
E2327309	Certificate of Analysis	Mar 03, 2025	L136469
D1916016	Certificate of Analysis	Dec 08, 2022	L136469

Chemical and Physical Properties

Refractive Index	1.45(lit.)
Specific Rotation[α]	-8.9° (neat)(lit.)
Boil Point(°C)	80-82 °C/0.2 mmHg(lit.)
Molecular Weight	224.340 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	224.178 Da
Monoisotopic Mass	224.178 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	262.000
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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