苯甲酸正丙酯

Description

n-Propyl Benzoate · CAS 2315-68-6 · C10H12O2. UNII VWK210B7WS. Boiling Point: 229.00 to 231.00 °C. @ 760.00 mm Hg; Boiling Point: 229 °C; Melting Point: -51 - -52 °C.

Identification

CAS Registry Number	2315-68-6
PubChem CID	16846
Molecular formula	C10H12O2
IUPAC name	propyl benzoate
UNII (FDA)	VWK210B7WS
FEMA number	2931
JECFA number	853

Computed Descriptors

Molecular Weight	164.20
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	229.00 to 231.00 °C. @ 760.00 mm Hg
Boiling Point	229 °C
Melting Point	-51 - -52 °C
Solubility	0.351 mg/mL at 25 °C
Density	1.020-1.026
LogP	3.01
LogP	3.23
Refractive Index	1.498-1.503

Physical description & handling notes

• Liquid
• colourless oily liquid with a warm, herbaceous, balsamic, nut-like odour
• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (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	98.9% (94 / 95)

GHS Hazard Classification

GHS notification summary	98.9% (94 / 95)

Documented Uses

• CIR ingredient: Propyl Benzoate
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Cosmetics -> Preservative; Solvent
• Benzoic acid, propyl ester: ACTIVE

Synonyms

PROPYL BENZOATE; Benzoic acid, propyl ester; n-Propyl benzoate; Propyl benzenecarboxylate; Benzoic acid n-propyl ester; Benzoate de propyle; UNII-VWK210B7WS; VWK210B7WS; FEMA No. 2931; DTXSID4044878; EINECS 219-020-8; NSC 229333; AI3-01973; NSC-229333; PROPYL BENZOATE [FHFI]; DTXCID2024878

Frequently Asked Questions

What are the CAS number and molecular formula of n-Propyl Benzoate?

CAS 2315-68-6; molecular formula C10H12O2; molecular weight — g/mol.

What other names is n-Propyl Benzoate known by?

PROPYL BENZOATE, Benzoic acid, propyl ester, n-Propyl benzoate, Propyl benzenecarboxylate, Benzoic acid n-propyl ester, Benzoate de propyle.

What is the regulatory status of n-Propyl Benzoate?

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

Is n-Propyl Benzoate classified as hazardous?

98.9% of GHS notifications report no hazard classification (94 of 95).

What are the key physical properties of n-Propyl Benzoate?

Boiling Point: 229.00 to 231.00 °C. @ 760.00 mm Hg; Boiling Point: 229 °C; Melting Point: -51 - -52 °C; Solubility: 0.351 mg/mL at 25 °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.