乙酸正壬酯

Description

Nonyl acetate is identified by CAS 143-13-5, molecular formula C11H22O2 and molecular weight 186.16 g/mol. UNII M2SE618B1L; ChEBI 87511; InChIKey GJQIMXVRFNLMTB-UHFFFAOYSA-N. Boiling Point: 406.4 to 413.6 °F at 760 mmHg (USCG, 1999); Boiling Point: 212.00 °C. @ 760.00 mm Hg; Boiling Point: 208-212 °C.

Identification

CAS Registry Number	143-13-5
PubChem CID	8918
Molecular formula	C11H22O2
Molecular weight	186.16 g/mol
IUPAC name	nonyl acetate
InChIKey	GJQIMXVRFNLMTB-UHFFFAOYSA-N
UNII (FDA)	M2SE618B1L
ChEBI ID	CHEBI:87511
FEMA number	2788
JECFA number	131

Computed Descriptors

Molecular Weight	186.29
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	186.161979940
Monoisotopic Mass	186.161979940
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	406.4 to 413.6 °F at 760 mmHg (USCG, 1999)
Boiling Point	212.00 °C. @ 760.00 mm Hg
Boiling Point	208-212 °C
Melting Point	-26 °C
Density	0.864-0.868
Refractive Index	1.422-1.426

Physical description & handling notes

• Nonyl acetate is a colorless liquid with a pungent odor of mushrooms. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
• Liquid
• colourless liquid with a floral, fruity odour
• soluble in alcohol, ether; insoluble in water
• 1 ml in 6 ml 70% alcohol (in ethanol)
• 0.8785 at 59 °F (USCG, 1999) - Less dense than water; will float

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	16.9% (263 / 1555)

GHS Hazard Classification

GHS notification summary	16.9% (263 / 1555)
Reported hazard statements	H411 (83.1%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Acetic acid, nonyl ester: ACTIVE

Synonyms

NONYL ACETATE; Acetic acid, nonyl ester; Acetic Acid Nonyl Ester; NONYLACETATE; DTXSID4047123; EINECS 205-585-8; UNII-M2SE618B1L; NSC 82356; M2SE618B1L; AI3-11583; NSC-82356; NONYL ACETATE [FCC]; NONYL ACETATE [FHFI]; DTXCID2027123; CHEBI:87511; FEMA 2788

Frequently Asked Questions

What are the CAS number and molecular formula of Nonyl acetate?

CAS 143-13-5; molecular formula C11H22O2; molecular weight 186.16 g/mol.

What other names is Nonyl acetate known by?

NONYL ACETATE, Acetic acid, nonyl ester, Acetic Acid Nonyl Ester, NONYLACETATE, DTXSID4047123, EINECS 205-585-8.

What is the regulatory status of Nonyl acetate?

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

Is Nonyl acetate classified as hazardous?

16.9% of GHS notifications report no hazard classification (263 of 1555).

What are the key physical properties of Nonyl acetate?

Boiling Point: 406.4 to 413.6 °F at 760 mmHg (USCG, 1999); Boiling Point: 212.00 °C. @ 760.00 mm Hg; Boiling Point: 208-212 °C; Melting Point: -26 °C.

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.