苯甲酸正丁酯

Description

Butyl Benzoate · CAS 136-60-7 · C11H14O2. UNII 1TGZ0D0O8I. Boiling Point: 250 °C; Melting Point: -22 °C; Flash Point: 225 °F (107 °C) (OPEN CUP).

Identification

CAS Registry Number	136-60-7
PubChem CID	8698
Molecular formula	C11H14O2
IUPAC name	butyl benzoate
UNII (FDA)	1TGZ0D0O8I

Computed Descriptors

Molecular Weight	178.23
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	250 °C
Melting Point	-22 °C
Flash Point	225 °F (107 °C) (OPEN CUP)
Density	1.00 @ 20 °C
Vapor Density	6.15 (AIR= 1)
Vapor Pressure	0.01 [mmHg]
Vapor Pressure	0.01 mm Hg at 25 °C.
LogP	3.68
Other Experimental Properties	LESS THAN 0.01 MM HG @ 20 °C

Physical description & handling notes

• Liquid
• Colorless liquid; Insoluble in water; [Hawley]
• THICK, OILY LIQUID
• COLORLESS LIQUID
• MILD ODOR
• PRACTICALLY INSOL IN WATER

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents CIR / INCI: Cosmetic ingredients (Butyl Benzoate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative
GHS notification summary	38.5% (209 / 543)

GHS Hazard Classification

GHS notification summary	38.5% (209 / 543)
Reported hazard statements	H302 (16.6%), H315 (61.5%), H319 (61.3%)

Documented Uses

• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• Using Disinfectants or Biocides [Category: Clean]
• Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
• USED IN THE LACQUER INDUSTRY TO A SLIGHT EXTENT; AS A PLASTICIZER
• SOLVENT FOR CELLULOSE ETHER; PERFUME INGREDIENT
• IN FOOD INDUSTRY; IN ENTOMOLOGY; PATENT FOR USE AS SELECTIVE YELLOW JACKET ATTRACTANT

Synonyms

BUTYL BENZOATE; n-Butyl benzoate; Benzoic acid, butyl ester; Anthrapole AZ; Dai Cari XBN; Benzoic acid n-butyl ester; Butylester kyseliny benzoove; HSDB 2089; Marvanol Carrier BB; 1TGZ0D0O8I; NSC 8474; EINECS 205-252-7; DTXSID8040694; UNII-1TGZ0D0O8I; NSC-8474; Butyl ester of benzoic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Butyl Benzoate?

CAS 136-60-7; molecular formula C11H14O2; molecular weight — g/mol.

What other names is Butyl Benzoate known by?

BUTYL BENZOATE, n-Butyl benzoate, Benzoic acid, butyl ester, Anthrapole AZ, Dai Cari XBN, Benzoic acid n-butyl ester.

What is the regulatory status of Butyl Benzoate?

Documented regulatory listings: EU Flavoring substances; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; Flavoring Agents.

Is Butyl Benzoate classified as hazardous?

38.5% of GHS notifications report no hazard classification (209 of 543).

What are the key physical properties of Butyl Benzoate?

Boiling Point: 250 °C; Melting Point: -22 °C; Flash Point: 225 °F (107 °C) (OPEN CUP); Density: 1.00 @ 20 °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.