ChemicalBook--->CAS DataBase List--->618-36-0

618-36-0

618-36-0 Structure

618-36-0 Structure
IdentificationMore
[Name]

DL-alpha-Methylbenzylamine
[CAS]

618-36-0
[Synonyms]

(+/-)-1-PHENYLETHYLAMINE
1-PHENYLETHYLAMINE
AKOS BBS-00003709
ALPHA-METHYLBENZYLAMINE
ALPHA-PEA
ALPHA-PHENYL ETHYLAMINE
DL-1-PHENYLETHYLAMINE
DL(+/-)-ALPHA-METHYLBENZYLAMINE
DL-ALPHA-METHYLBENZYLAMINE
DL-ALPHA-PHENETHYLAMINE
DL-ALPHA-PHENYLETHYLAMINE
DL-A-METHYLBENZYLAMINE
DL-A-PHENYLETHYLAMINE
LABOTEST-BB LTBB000514

(.+/-.)-1-Phenethylamine
(+/-)-benzenemethanamin
)-1-Phenethylamine
.alpha.-methyl-,(±)-Benzenemethanamine
?-Methyl-benzylamine
[EINECS(EC#)]

210-545-8
[Molecular Formula]

C8H11N
[MDL Number]

MFCD00008069
[Molecular Weight]

121.18
[MOL File]

618-36-0.mol
Chemical PropertiesBack Directory
[Appearance]

liquid
[Melting point ]

-65 °C
[Boiling point ]

185 °C756 mm Hg(lit.)
[density ]

0.94 g/mL at 25 °C(lit.)
[vapor pressure ]

0.7 hPa (20 °C)
[refractive index ]

n20/D 1.526(lit.)
[Fp ]

175 °F
[storage temp. ]

Store below +30°C.
[solubility ]

42g/l
[form ]

Liquid
[pka]

9.04±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Stability:]

Stable, but absorbs carbon dioxide from the air. Store under an inert atmosphere. Incompatible with strong oxidizing agents, carbon dioxide.
[Water Solubility ]

4.2 g/100 mL (20 ºC)
[Sensitive ]

Air Sensitive
[Merck ]

14,6026
[BRN ]

636127
[Dielectric constant]

4.4(18℃)
[InChIKey]

RQEUFEKYXDPUSK-UHFFFAOYSA-N
[LogP]

1.31 at 25℃
[CAS DataBase Reference]

618-36-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenemethanamine, «alpha»-methyl-, (.+/-.)-(618-36-0)
[EPA Substance Registry System]

618-36-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R21/22:Harmful in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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) .
[RIDADR ]

UN 2735 8/PG 2
[WGK Germany ]

1
[RTECS ]

DP5775000
[F ]

10-23
[Autoignition Temperature]

355 °C
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29214980
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetophenone-->Ammonium formate-->(R)-(+)-1-Phenylethylamine
[Preparation Products]

DL-Azetidine-2-carboxylic acid-->L-1-Phenylethylamine-->1-(1-PHENYLETHYL)PIPERAZINE-->2,4,6-TRIPHENYLPYRIDINE-->Benzenemethanamine, α-methyl-N-(2-methylbutyl)--->(1-PHENYL-ETHYL)-PROP-2-YNYL-AMINE-->3-oxo-N-(1-phenylethyl)butanamide-->3-(1-PHENYLETHYLAMINO)PROPANOIC ACID-->N-(4-fluorobenzyl)-N-(1-phenylethyl)amine-->NSC 7176
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

DL-alpha-Methylbenzylamine(618-36-0).msds
Hazard InformationBack Directory
[Chemical Properties]

liquid
[Uses]

Used for synthesis and as an emulsifying agent; used as a resolving agent and chiral intermediate.
[Definition]

ChEBI: A phenylethylamine that is ethylamine substituted by a phenyl group at position 1.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 49, p. 4272, 1984 DOI: 10.1021/jo00196a031
Chemical and Pharmaceutical Bulletin, 36, p. 1529, 1988 DOI: 10.1248/cpb.36.1529
Tetrahedron Letters, 27, p. 3957, 1986 DOI: 10.1016/S0040-4039(00)84883-2
[General Description]

α-Methylbenzylamine is a nitrogen source that is widely used as a representative substrate to study the chemo-enzymatic kinetic resolution of primary amines.
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Dissolve the amine in toluene, dry over NaOH and distil; fraction boiling at 187-188o/atm is collected. Store it under N2 to avoid forming the carbamate and urea. Similarly for the S-(-) enantiomer [2627-86-3]. [Ingersoll Org Synth Coll Vol II 503 1943, Robinson & Snyder Org Synth Coll Vol III 717 1955, Beilstein 12 IV 2424, 2425.]
Spectrum DetailBack Directory
[Spectrum Detail]

DL-alpha-Methylbenzylamine(618-36-0)MS
DL-alpha-Methylbenzylamine(618-36-0)1HNMR
DL-alpha-Methylbenzylamine(618-36-0)13CNMR
DL-alpha-Methylbenzylamine(618-36-0)IR1
DL-alpha-Methylbenzylamine(618-36-0)IR2
DL-alpha-Methylbenzylamine(618-36-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-alpha-Methylbenzylamine, 99%(618-36-0)
[Alfa Aesar]

(+/-)-1-Phenylethylamine, 98+%(618-36-0)
[Sigma Aldrich]

618-36-0(sigmaaldrich)
[TCI AMERICA]

DL-1-Phenylethylamine,>98.0%(GC)(618-36-0)
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