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

CAS: 115-99-1 Cat. No.: L475392 Molecular Weight: 182.26 EC Number: 204-120-6
AVAILABLE TO ORDER
GRADE & PURITY ≥90%
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
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
L475392-5g
5
$15.90
25g
L475392-25g
5
$47.90
100g
L475392-100g
4
$130.90
500g
L475392-500g
1
$452.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Linalyl formate is found in the essential oils of rosewood, lemongrass andMurraya koenigiifruits oil.

Specifications

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%
Storage
Room temperature
Purity
≥90%
Names and Identifiers
Pubchem Sid488183433
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183433
Canonical SmilesCC(=CCCC(C)(C=C)OC=O)C
IUPAC Name3,7-dimethylocta-1,6-dien-3-yl formate
InChIKeyJZOCDHMHLGUPFI-UHFFFAOYSA-N
INCHI1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassMonoterpenoids
Intermediate Tree Nodes Not available
Direct ParentAcyclic monoterpenoids
Alternative Parents Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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.

8 results found

Lot NumberCertificate TypeDateItem
D2308256Certificate of AnalysisJan 20, 2026 L475392
D2308258Certificate of AnalysisJan 20, 2026 L475392
D2308259Certificate of AnalysisJan 20, 2026 L475392
D2308261Certificate of AnalysisJan 20, 2026 L475392
D2308264Certificate of AnalysisJan 20, 2026 L475392
D2308416Certificate of AnalysisJan 20, 2026 L475392
D2308257Certificate of AnalysisFeb 17, 2023 L475392
I2406222Certificate of AnalysisFeb 17, 2023 L475392
Chemical and Physical Properties
Refractive Indexn20/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 Weight182.260 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass182.131 Da
Monoisotopic Mass182.131 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity202.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Jiao Yang Lu, Quan Jiang, Jiao Jiao Lei, Ying Xuan He, Wei Tao Huang.  (2022)  Molecular ‘email’: Electrochemical aptasensing of fish pathogens, molecular information encoding, encryption and hiding applications.  ANALYTICA CHIMICA ACTA,      [PMID:36257750] [10.1016/j.aca.2022.340483]
Solution Calculators
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