苯甲酸苄酯

Description

Benzyl benzoate is identified by CAS 120-51-4, molecular formula C14H12O2 and molecular weight 212.08 g/mol. UNII N863NB338G; ChEBI 41237; InChIKey SESFRYSPDFLNCH-UHFFFAOYSA-N. Boiling Point: 323.5; Boiling Point: 321.3 °C; Boiling Point: BP: 323-324 °C.

Identification

CAS Registry Number	120-51-4
PubChem CID	2345
Molecular formula	C14H12O2
Molecular weight	212.08 g/mol
IUPAC name	benzyl benzoate
InChIKey	SESFRYSPDFLNCH-UHFFFAOYSA-N
UNII (FDA)	N863NB338G
ChEBI ID	CHEBI:41237
ATC code (WHO)	P03AX01
FEMA number	2138
JECFA number	24

Computed Descriptors

Molecular Weight	212.24
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	212.083729621
Monoisotopic Mass	212.083729621
Topological Polar Surface Area	26.3
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	323.5
Boiling Point	321.3 °C
Boiling Point	BP: 323-324 °C
Boiling Point	323.00 to 324.00 °C. @ 760.00 mm Hg
Boiling Point	324 °C
Boiling Point	323-324 °C
Boiling Point	324 °C @760 [mm Hg]
Melting Point	21
Melting Point	19 °C
Melting Point	21 °C

Physical description & handling notes

• CBI; Other Solid; Dry Powder; Other Solid; Liquid
• Colorless liquid or white solid; [ICSC] Not miscible or difficult to mix in water; [MSDSonline] Pleasant odor; Slightly volatile in steam and insoluble in water; [Ullmann]
• Solid
• COLOURLESS LIQUID OR WHITE SOLID WITH CHARACTERISTIC ODOUR.
• leaflets or oily liquid with a faint, sweet, balsamic odour
• Leaflets or oily liquid

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT: Flavouring Agent Balsamic, Herb, Oil

GHS Hazard Classification

Reported hazard statements	H302, H411, H400 (21.1%), H371, H410

Documented Uses

• CIR ingredient: Benzyl Benzoate
• Used in plastic pyroxylin compounds, flavors, perfumes, plasticizers, dye carriers, antispasmodic drugs, insect repellants, scabicides , and pediculicides; [HSDB] Used as a dye carrier and a solvent for cellulose derivatives, plasticizers, and perfume fixatives; It is the main constituent in Peru balsam; Used in drugs for asthma; [Ullmann]
• As solvent of cellulose acetate, nitrocellulose and artificual musk; substitute for camphor in celluloid and plastic pyroxylin compounds; perfume fixative; in confectionary and chewing gum flavors.
• Fixative and solvent for musk in perfumes and flavors; medicine (external); plasticizer for nitrocellulose and cellulose acetate, miticide.
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#818]
• For more Uses (Complete) data for Benzyl benzoate (8 total), please visit the HSDB record page.

Synonyms

BENZYL BENZOATE; 120-51-4; Ascabiol; Benylate; Benzoic acid, phenylmethyl ester; Phenylmethyl benzoate; Benzoic acid, benzyl ester; Scobenol; Ascabin; Novoscabin; Scabiozon; Benzyl phenylformate; Benzylets; Colebenz; Peruscabin; Scabanca

Frequently Asked Questions

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

CAS 120-51-4; molecular formula C14H12O2; molecular weight 212.08 g/mol.

What other names is Benzyl benzoate known by?

BENZYL BENZOATE, 120-51-4, Ascabiol, Benylate, Benzoic acid, phenylmethyl ester, Phenylmethyl benzoate.

What is the regulatory status of Benzyl benzoate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is Benzyl benzoate classified as hazardous?

Hazard statements reported: H302, H411, H400, H371, H410.

What are the key physical properties of Benzyl benzoate?

Boiling Point: 323.5; Boiling Point: 321.3 °C; Boiling Point: BP: 323-324 °C; Boiling Point: 323.00 to 324.00 °C. @ 760.00 mm Hg.

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.