苯甲酸异丙酯

Description

isopropyl benzoate · CAS 939-48-0 · C10H12O2. UNII 1Q2618834N. Boiling Point: 215.00 to 218.00 °C. @ 760.00 mm Hg; Boiling Point: 218 °C; Density: 1.005-1.011.

Identification

CAS Registry Number	939-48-0
PubChem CID	13654
Molecular formula	C10H12O2
IUPAC name	propan-2-yl benzoate
UNII (FDA)	1Q2618834N
FEMA number	2932
JECFA number	855

Computed Descriptors

Molecular Weight	164.20
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
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	215.00 to 218.00 °C. @ 760.00 mm Hg
Boiling Point	218 °C
Density	1.005-1.011
LogP	3.18
LogP	3.09
Refractive Index	1.492-1.497

Physical description & handling notes

• colourless oily liquid with a heavy, sweet, fruity-floral 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	80.9% (533 / 659)

GHS Hazard Classification

GHS notification summary	80.9% (533 / 659)
Reported hazard statements	H317 (19%)

Documented Uses

• CIR ingredient: Isopropyl Benzoate
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzoic acid, 1-methylethyl ester: ACTIVE

Synonyms

ISOPROPYL BENZOATE; 939-48-0; propan-2-yl benzoate; Benzoic acid, isopropyl ester; Benzoic acid, 1-methylethyl ester; 1-Methylethyl benzoate; FEMA No. 2932; Isopropylester kyseliny benzoove; DTXSID9044746; Isopropylester kyseliny benzoove [Czech]; EINECS 213-361-6; BRN 2044384; AI3-01132; ISOPROPYL BENZOATE [FHFI]; 1Q2618834N; DTXCID7024746

Frequently Asked Questions

What are the CAS number and molecular formula of isopropyl benzoate?

CAS 939-48-0; molecular formula C10H12O2; molecular weight — g/mol.

What other names is isopropyl benzoate known by?

ISOPROPYL BENZOATE, 939-48-0, propan-2-yl benzoate, Benzoic acid, isopropyl ester, Benzoic acid, 1-methylethyl ester, 1-Methylethyl benzoate.

What is the regulatory status of isopropyl benzoate?

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

Is isopropyl benzoate classified as hazardous?

80.9% of GHS notifications report no hazard classification (533 of 659).

What are the key physical properties of isopropyl benzoate?

Boiling Point: 215.00 to 218.00 °C. @ 760.00 mm Hg; Boiling Point: 218 °C; Density: 1.005-1.011; LogP: 3.18.

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.