ethyl 3-hydroxyhexanoate

Description

ethyl 3-hydroxyhexanoate is identified by CAS 2305-25-1, molecular formula C8H16O3 and molecular weight 160.11 g/mol. UNII 2M3L6B34FF; ChEBI 23997; InChIKey LYRIITRHDCNUHV-UHFFFAOYSA-N. Boiling Point: 101.00 to 102.00 °C. @ 14.00 mm Hg; Boiling Point: 101-102 °C (14 mm Hg); 62 °C (0.7 mm Hg); 90 °C (10 mm Hg); Density: 0.967-0.976.

Identification

CAS Registry Number	2305-25-1
PubChem CID	61293
Molecular formula	C8H16O3
Molecular weight	160.11 g/mol
IUPAC name	ethyl 3-hydroxyhexanoate
InChIKey	LYRIITRHDCNUHV-UHFFFAOYSA-N
UNII (FDA)	2M3L6B34FF
ChEBI ID	CHEBI:23997
FEMA number	3545
JECFA number	601

Computed Descriptors

Molecular Weight	160.21
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	160.109944368
Monoisotopic Mass	160.109944368
Topological Polar Surface Area	46.5
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	101.00 to 102.00 °C. @ 14.00 mm Hg
Boiling Point	101-102 °C (14 mm Hg); 62 °C (0.7 mm Hg); 90 °C (10 mm Hg)
Density	0.967-0.976
Refractive Index	1.423-1.433

Physical description & handling notes

• colourless to pale yellow liquid with fruity odour
• insoluble in water and oils
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fresh, Fruit, Passion Fruit, Rubber No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.9% (1457 / 1458)

GHS Hazard Classification

GHS notification summary	99.9% (1457 / 1458)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Hexanoic acid, 3-hydroxy-, ethyl ester: ACTIVE

Synonyms

Ethyl 3-hydroxyhexanoate; 2305-25-1; Hexanoic acid, 3-hydroxy-, ethyl ester; Ethyl beta-hydroxycaproate; FEMA No. 3545; 2M3L6B34FF; Ethyl 3-hydroxycaproate; ethyl 3-hydroxy-hexanoate; CHEBI:23997; 3-hydroxy-hexanoic acid ethyl ester; EINECS 218-973-7; ETHYL 3-HYDROXYHEXANOATE [FHFI]; WE(2:0/6:0(3OH)); DTXSID10862898; CAPROIC ACID, .BETA.-HYDROXY-, ETHYL ESTER; RefChem:594986

Frequently Asked Questions

What are the CAS number and molecular formula of ethyl 3-hydroxyhexanoate?

CAS 2305-25-1; molecular formula C8H16O3; molecular weight 160.11 g/mol.

What other names is ethyl 3-hydroxyhexanoate known by?

Ethyl 3-hydroxyhexanoate, 2305-25-1, Hexanoic acid, 3-hydroxy-, ethyl ester, Ethyl beta-hydroxycaproate, FEMA No. 3545, 2M3L6B34FF.

What is the regulatory status of ethyl 3-hydroxyhexanoate?

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

Is ethyl 3-hydroxyhexanoate classified as hazardous?

99.9% of GHS notifications report no hazard classification (1457 of 1458).

What are the key physical properties of ethyl 3-hydroxyhexanoate?

Boiling Point: 101.00 to 102.00 °C. @ 14.00 mm Hg; Boiling Point: 101-102 °C (14 mm Hg); 62 °C (0.7 mm Hg); 90 °C (10 mm Hg); Density: 0.967-0.976; Refractive Index: 1.423-1.433.

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.