丙酸芳樟酯

Description

LINALYL PROPIONATE is identified by CAS 144-39-8, molecular formula C13H22O2 and molecular weight 210.16 g/mol. UNII BI845A018T; ChEBI 174062; InChIKey WAQIIHCCEMGYKP-UHFFFAOYSA-N. Boiling Point: 115.00 °C. @ 10.00 mm Hg; Boiling Point: 226 °C; Solubility: 17 mg/L @ 20 °C (exp).

Identification

CAS Registry Number	144-39-8
PubChem CID	61098
Molecular formula	C13H22O2
Molecular weight	210.16 g/mol
IUPAC name	3,7-dimethylocta-1,6-dien-3-yl propanoate
InChIKey	WAQIIHCCEMGYKP-UHFFFAOYSA-N
UNII (FDA)	BI845A018T
ChEBI ID	CHEBI:174062
FEMA number	2645
JECFA number	360

Computed Descriptors

Molecular Weight	210.31
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	210.161979940
Monoisotopic Mass	210.161979940
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	115.00 °C. @ 10.00 mm Hg
Boiling Point	226 °C
Solubility	17 mg/L @ 20 °C (exp)
Density	0.893-0.902
Refractive Index	1.449-1.454

Physical description & handling notes

• Liquid
• colourless or almost colourless liquid with a fresh, floral, sweet, fruity, pear-like odour
• soluble in alcohol and most fixed oils; slightly soluble in propylene glycol; insoluble in glycerol
• 1 ml in 7 ml 70% alcohol; 1 ml in 2 ml 80% alcohol (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 Fruit No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	16.6% (282 / 1697)

GHS Hazard Classification

GHS notification summary	16.6% (282 / 1697)
Reported hazard statements	H411 (78%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 2 consumer products that contain Linalyl Propionate in the following categories is provided:
• 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate: ACTIVE

Synonyms

Linalyl propionate; 144-39-8; 3,7-dimethylocta-1,6-dien-3-yl propanoate; Linalyl propanoate; Linalool propionate; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE; Propionic acid, linalyl ester; 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate; FEMA No. 2645; DTXSID1047574; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate; 3,7-Dimethyl-1,6-octadien-3-yl propionate; BI845A018T; NSC-46139; DTXCID9027574; RefChem:153485

Frequently Asked Questions

What are the CAS number and molecular formula of LINALYL PROPIONATE?

CAS 144-39-8; molecular formula C13H22O2; molecular weight 210.16 g/mol.

What other names is LINALYL PROPIONATE known by?

Linalyl propionate, 144-39-8, 3,7-dimethylocta-1,6-dien-3-yl propanoate, Linalyl propanoate, Linalool propionate, 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE.

What is the regulatory status of LINALYL PROPIONATE?

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

Is LINALYL PROPIONATE classified as hazardous?

16.6% of GHS notifications report no hazard classification (282 of 1697).

What are the key physical properties of LINALYL PROPIONATE?

Boiling Point: 115.00 °C. @ 10.00 mm Hg; Boiling Point: 226 °C; Solubility: 17 mg/L @ 20 °C (exp); Density: 0.893-0.902.

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.