Sorbyl alcohol

Description

2,4-Hexadien-1-ol is identified by CAS 111-28-4, molecular formula C6H10O and molecular weight 98.14 g/mol. UNII NS00079202; InChIKey MEIRRNXMZYDVDW-UHFFFAOYSA-N. Vapor Pressure: 0.02 [mmHg].

Identification

CAS Registry Number	111-28-4
PubChem CID	8104
Molecular formula	C6H10O
Molecular weight	98.14 g/mol
IUPAC name	hexa-2,4-dien-1-ol
InChIKey	MEIRRNXMZYDVDW-UHFFFAOYSA-N
UNII (FDA)	NS00079202
FEMA number	3922
JECFA number	1174

Computed Descriptors

Molecular Weight	98.14
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	20.2
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.02 [mmHg]

Physical description & handling notes

• Solid with an agreeable odor of freshly cut grass; mp = 30.5-31.5 deg C; [Merck Index] Colorless solid with a green herbal odor; [Bedoukian Research MSDS]
• colourless solid; green, vegetable aroma
• Insoluble in water; Soluble in fat
• soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Fruit

GHS Hazard Classification

Reported hazard statements	H302 (99.2%), H311 (99.6%), H315 (100%), H319 (99.6%)

Documented Uses

• Used as a reagent in organic chemistry; [Merck Index] Used as a flavoring agent; [FDA]
• Flavoring Agents -> JECFA Flavorings Index
• 1-Hydroxy-2,4-hexadiene; Hexa-2,4-dien-1-ol; Sorbic alcohol; Sorbyl alcohol; Hexadienol (commercial name)
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Prohibition: This material should not be used as a fragrance ingredient
• This material should not be used as a fragrance ingredient.

Synonyms

hexa-2,4-dien-1-ol; DTXSID8047632; RefChem:785768; DTXCID6027632; 111-28-4; 2,4-Hexadien-1-OL; Sorbyl alcohol; hexa-2,4-diene-1-ol; 2,a4-aHexadien-a1-aol; SCHEMBL21952; E,E-2,4-Hexadien-1-ol; SCHEMBL1616298; SCHEMBL3867059; SCHEMBL28549828; DB-019214; NS00079202

Frequently Asked Questions

What are the CAS number and molecular formula of 2,4-Hexadien-1-ol?

CAS 111-28-4; molecular formula C6H10O; molecular weight 98.14 g/mol.

What other names is 2,4-Hexadien-1-ol known by?

hexa-2,4-dien-1-ol, DTXSID8047632, RefChem:785768, DTXCID6027632, 111-28-4, 2,4-Hexadien-1-OL.

What is the regulatory status of 2,4-Hexadien-1-ol?

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

Is 2,4-Hexadien-1-ol classified as hazardous?

Hazard statements reported: H302, H311, H315, H319.

What are the key physical properties of 2,4-Hexadien-1-ol?

Vapor Pressure: 0.02 [mmHg].

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.