HEPTYL ACETATE

Description

HEPTYL ACETATE is identified by CAS 112-06-1, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 6551B78I5U; ChEBI 165651; InChIKey ZCZSIDMEHXZRLG-UHFFFAOYSA-N. Boiling Point: 378.5 °F at 760 mmHg (USCG, 1999); Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 192 °C.

Identification

CAS Registry Number	112-06-1
PubChem CID	8159
Molecular formula	C9H18O2
Molecular weight	158.13 g/mol
IUPAC name	heptyl acetate
InChIKey	ZCZSIDMEHXZRLG-UHFFFAOYSA-N
UNII (FDA)	6551B78I5U
ChEBI ID	CHEBI:165651
FEMA number	2547
JECFA number	129

Computed Descriptors

Molecular Weight	158.24
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	378.5 °F at 760 mmHg (USCG, 1999)
Boiling Point	192.00 to 193.00 °C. @ 760.00 mm Hg
Boiling Point	192 °C
Melting Point	-58.4 °F (USCG, 1999)
Melting Point	-50 °C
Flash Point	154 °F (USCG, 1999)
Density	0.87505(15 °C)
Refractive Index	1.411-1.417

Physical description & handling notes

• Heptyl acetate is a colorless liquid. (USCG, 1999)
• Liquid
• colourless liquid with a herbaceous, green, rose odour
• soluble in alcohol, ether; insoluble in water
• (in ethanol)
• 0.875 (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 Floral, Fresh No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.4% (317 / 319)

GHS Hazard Classification

GHS notification summary	99.4% (317 / 319)

Documented Uses

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

Synonyms

Heptyl acetate; Heptanyl acetate; Acetic acid, heptyl ester; 1-Heptyl acetate; N-HEPTYL ACETATE; Acetate C-7; n-Heptyl ethanoate; Heptyl ethanoate; Acetic acid n-heptyl ester; HEPTYLACETATE; n-Heptyl acetate (natural); Heptanol acetate; FEMA No. 2547; EINECS 203-932-8; DTXSID9047124; NSC 3833

Frequently Asked Questions

What are the CAS number and molecular formula of HEPTYL ACETATE?

CAS 112-06-1; molecular formula C9H18O2; molecular weight 158.13 g/mol.

What other names is HEPTYL ACETATE known by?

Heptyl acetate, Heptanyl acetate, Acetic acid, heptyl ester, 1-Heptyl acetate, N-HEPTYL ACETATE, Acetate C-7.

What is the regulatory status of HEPTYL ACETATE?

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

Is HEPTYL ACETATE classified as hazardous?

99.4% of GHS notifications report no hazard classification (317 of 319).

What are the key physical properties of HEPTYL ACETATE?

Boiling Point: 378.5 °F at 760 mmHg (USCG, 1999); Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 192 °C; Melting Point: -58.4 °F (USCG, 1999).

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.