linalyl benzoate

Description

linalyl benzoate is identified by CAS 126-64-7, molecular formula C17H22O2 and molecular weight 258.16 g/mol. UNII 2ADP7IT9Y3; ChEBI 172501; InChIKey BTJXBZZBBNNTOV-UHFFFAOYSA-N. Boiling Point: 263.00 °C. @ 760.00 mm Hg; Boiling Point: 263 °C; Density: 0.978-0.999.

Identification

CAS Registry Number	126-64-7
PubChem CID	31353
Molecular formula	C17H22O2
Molecular weight	258.16 g/mol
IUPAC name	3,7-dimethylocta-1,6-dien-3-yl benzoate
InChIKey	BTJXBZZBBNNTOV-UHFFFAOYSA-N
UNII (FDA)	2ADP7IT9Y3
ChEBI ID	CHEBI:172501
FEMA number	2638
JECFA number	859

Computed Descriptors

Molecular Weight	258.35
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	258.161979940
Monoisotopic Mass	258.161979940
Topological Polar Surface Area	26.3
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Boiling Point	263.00 °C. @ 760.00 mm Hg
Boiling Point	263 °C
Density	0.978-0.999
Refractive Index	1.505-1.526

Physical description & handling notes

• Liquid
• yellowish to amber liquid with a heavy, floral, balsamic, fruity odour
• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	18.9% (314 / 1660)

GHS Hazard Classification

GHS notification summary	18.9% (314 / 1660)
Reported hazard statements	H319 (81.1%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate: ACTIVE

Synonyms

Linalyl benzoate; 126-64-7; Linalool, benzoate; Benzoic acid linalool ester; BENZOIC ACID, LINALYL ESTER; FEMA No. 2638; 1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate; 3,7-Dimethyl-1,6-octadien-3-yl benzoate; DTXSID2047191; 2ADP7IT9Y3; NSC-71926; DTXCID0027191; RefChem:799205; 204-796-2; Linalol benzoate

Frequently Asked Questions

What are the CAS number and molecular formula of linalyl benzoate?

CAS 126-64-7; molecular formula C17H22O2; molecular weight 258.16 g/mol.

What other names is linalyl benzoate known by?

Linalyl benzoate, 126-64-7, Linalool, benzoate, Benzoic acid linalool ester, BENZOIC ACID, LINALYL ESTER, FEMA No. 2638.

What is the regulatory status of linalyl benzoate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is linalyl benzoate classified as hazardous?

18.9% of GHS notifications report no hazard classification (314 of 1660).

What are the key physical properties of linalyl benzoate?

Boiling Point: 263.00 °C. @ 760.00 mm Hg; Boiling Point: 263 °C; Density: 0.978-0.999; Refractive Index: 1.505-1.526.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.