ChemicalBook CAS DataBase List 103-41-3

103-41-3

Name	Benzyl cinnamate
CAS	103-41-3
EINECS(EC#)	203-109-3
Molecular Formula	C16H14O2
MDL Number	MFCD00004789
Molecular Weight	238.28
MOL File	103-41-3.mol

Synonyms

BENZYL B-PHENYLACRYLATE BENZYL CINNAMATE BENZYL TRANS-3-PHENYLPROPENOATE CINNAMEIN CINNAMIC ACID BENZYL ESTER FEMA 2142 2-Propenoic acid, 3-phenyl-, phenylmethyl ester 2-Propenoicacid,3-phenyl-,phenylmethylester 3-Phenyl-2-propenoic acid phenylmethyl ester 3-phenyl-2-propenoicacidphenylmethylester 3-phenyl-2-propenoicaciphenylmethylester Benzyl (2E)-3-phenyl-2-propenoate Benzyl 3-phenylpropenoate Benzyl alcohol cinnamic ester Benzyl alcohol, cinnamate Benzyl gamma-phenylacrylate benzyl-3-phenylpropenoate benzylalcohol,cinnamate benzylalcohol,cinnamicester benzylbeta-phenylacrylate

Chemical Properties

Appearance	Clear colorless to yellowish crystalline mass or liquid after meltin
Melting point	34-37 °C (lit.)
Boiling point	195-200 °C/5 mmHg (lit.)
density	1.11
vapor pressure	<0.1 hPa (20 °C)
FEMA	2142
refractive index	1.4025-1.4045
Fp	>230 °F
storage temp.	Store below +30°C.
solubility	alcohol: soluble(lit.)
form	Crystalline Mass or Liquid After Melting
color	Clear colorless to yellow
Odor	aromatic odor
biological source	synthetic
Odor Type	balsamic
Water Solubility	PRACTICALLY INSOLUBLE
JECFA Number	670
Merck	14,1130
BRN	2051339
Henry's Law Constant	3.0×10¹ mol/(m³Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKey	NGHOLYJTSCBCGC-VAWYXSNFSA-N
SMILES	O=C(OCC1=CC=CC=C1)/C=C/C2=CC=CC=C2
LogP	4.18 at 23.7℃
CAS DataBase Reference	103-41-3(CAS DataBase Reference)
NIST Chemistry Reference	Benzyl cinnamate(103-41-3)
EPA Substance Registry System	Benzyl cinnamate (103-41-3)

Safety Data

Symbol(GHS)	GHS07,GHS09
Signal word	Warning
Hazard statements	H317-H410
Precautionary statements	P261-P272-P273-P280-P302+P352-P333+P313
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S22:Do not breathe dust . S24/25:Avoid contact with skin and eyes . less more
RIDADR	3077
WGK Germany	2
RTECS	GD8400000
TSCA	Yes
REACH Registrations	Active
HS Code	29163900
Storage Class	11 - Combustible Solids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 2 Skin Sens. 1B
Hazardous Substances Data	103-41-3(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 5530 mg/kg (Jenner) less more

Raw materials And Preparation Products

Hazard Information

Hazard

Moderately toxic.

Chemical Properties

Benzyl cinnamate has a sweet, balsamic odor and a honey-like taste.

Chemical Properties

Benzyl Cinnamate occurs in balsams and balsam oils. It forms white, sweet-balsamic-smelling crystals (mp 35-36°C). Benzyl cinnamate is used as a fixative in perfumes and as a component of heavy, oriental perfumes.

Chemical Properties

Clear colorless to yellowish crystalline mass or liquid after meltin

Occurrence

Reported found in Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam.

Uses

In artificial flavors, in perfumes, mainly as a fixative.

Definition

ChEBI: Benzyl cinnamate is the cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. It has a role as a flavouring agent, a fragrance, a fixative, an antigen and an epitope.

Preparation

By heating benzyl chloride and excess sodium cinnamate in water to 100 to 115°C; by heating sodium cinnamate with an excess of benzyl chloride in the presence of diethylamine.

Production Methods

Benzyl cinnamate is produced by the direct esterification of benzyl alcohol with cinnamic acid.

Taste threshold values

Taste characteristics at 50 ppm: spicy, floral, fruity, balsamic.

General Description

Benzyl cinnamate is widely used as a fragrance ingredient.

Flammability and Explosibility

Nonflammable

Safety Profile

Moderately toxic by ingestion. Amild allergen and skin irritant. Combustible liquid. When heated to decomposition it emits acridsmoke and irritating fumes.

target

Immunology & Inflammation related

Metabolism

See monograph on Benzyl alcohol (p. 1011).

Purification Methods

Recrystallise the ester to a constant melting point from 95% EtOH. It has the odour of balsam. Alternatively dissolve it in Et2O, wash it with 10% aqueous Na2CO3, H2O, dry (Na2SO4), evaporate and fractionate it under reduced pressure using a short Vigreux column (p 11). It decomposes when boiled at atmospheric pressure. [Eliel & Anderson J Am Chem Soc 74 547 1952, Bender & Zerner J Am Chem Soc 84 2550 1962, Beilstein 9 IV 2012.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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