ChemicalBook CAS DataBase List 64-04-0

64-04-0

Name	Phenethylamine
CAS	64-04-0
EINECS(EC#)	200-574-4
Molecular Formula	C8H11N
MDL Number	MFCD00008184
Molecular Weight	121.18
MOL File	64-04-0.mol

Chemical Properties

Appearance	colourless or slightly yellow liquid with
Melting point	-60 °C
Boiling point	197-200 °C (lit.)
density	0.962 g/mL at 20 °C(lit.)
vapor density	4.18 (vs air)
vapor pressure	0.4 hPa (20 °C)
FEMA	3220
refractive index	n20/D 1.533(lit.)
Fp	195 °F
storage temp.	2-8°C
solubility	alcohol: freely soluble(lit.)
form	liquid
pka	9.84(at 25℃)
color	clear, colorless
Odor	fishy odor
PH	11.5 (4.3g/l, H2O, 20℃)
PH Range	11.5 at 4.3 g/l at 20 °C
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
explosive limit	1.0-5.5%(V)
Odor Type	fishy
Water Solubility	SOLUBLE
Sensitive	Air Sensitive
Detection Methods	GC,NMR
JECFA Number	1589
Merck	14,7225
BRN	507488
Henry's Law Constant	1.2×10¹ mol/(m³Pa) at 25℃, HSDB (2015)
InChI	1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey	BHHGXPLMPWCGHP-UHFFFAOYSA-N
SMILES	NCCc1ccccc1
LogP	1.46
CAS DataBase Reference	64-04-0(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneethanamine(64-04-0)
Storage Precautions	Air sensitive
EPA Substance Registry System	Phenethylamine (64-04-0)

Safety Data

Symbol(GHS)	GHS05,GHS06
Signal word	Danger
Hazard statements	H290-H301-H314
Precautionary statements	P234-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes	C
Risk Statements	R22:Harmful if swallowed. R34:Causes burns. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . less more
RIDADR	UN 2922 8/PG 2
WGK Germany	1
RTECS	SG8750000
F	9-23
Autoignition Temperature	425 °C
TSCA	Yes
REACH Registrations	Active
HazardClass	8
PackingGroup	III
HS Code	29214980
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 3 Oral Eye Dam. 1 Met. Corr. 1 Skin Corr. 1B
Safety Profile	Poison by intraperitoneal, subcutaneous, intracervical, and intravenous routes. Moderately toxic by ingestion. A strong base. A skin irritant and possible sensitizer. When heated to decomposition it emits toxic fumes of NOx. See also AMINES less more
Hazardous Substances Data	64-04-0(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 300 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

colourless or slightly yellow liquid with

Chemical Properties

Phenethylamine has a fish odor.

Occurrence

Reported found in the oil of bitter almonds. Also found in grapes, cabbage, kale, carrots, blue and provolone cheese, fatty fish, beer, sherry, grape wines, cocoa, cauliflower, beetroot, radish, rhubarb, sake and dried bonito.

Uses

Phenethylamine is used in manufacturing anti-depression agents and anti diabetic drugs. It is also used as the goodds for drug jiangtangling intermediate, also used for other organic synthesis.

Definition

ChEBI: A phenylethylamine having the phenyl substituent at the 2-position.

Preparation

By reduction of benzyl cyanide with sodium metal in alcohol or with Raney-Ni.

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 34, p. 3905, 1986 DOI: 10.1248/cpb.34.3905
Journal of the American Chemical Society, 94, p. 6561, 1972 DOI: 10.1021/ja00773a060
Tetrahedron Letters, 21, p. 1719, 1980 DOI: 10.1016/S0040-4039(00)77819-1

General Description

Phenethylamine, a new stimulant designer drug, was analyzed by the liquid chromatography high-resolution mass spectrometry quadrupole-time-of-flight (LC-HRMS-QTOF) method.

Purification Methods

Distil the amine from CaH2, under reduced pressure, just before use. [Beilstein 12 H 1096, 12 IV 2453.]

Toxics Screening Level

The ITSL for beta phenylethylamine has been changed from 0.04 μg/m3 to 0.1 μg/m3 based on an annual averaging time.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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