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Safety Information

226408

Sigma-Aldrich

o-Methyl-N,N′-diisopropylisourea

97%

Synonym(s):

N,N′-Diisopropyl-O-methylisourea

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About This Item

Linear Formula:
(CH3)2CHNHC(OCH3)=NCH(CH3)2
CAS Number:
54648-79-2
Molecular Weight:
158.24
Beilstein:
1753052
EC Number:
259-275-2
MDL number:
MFCD00008866
UNSPSC Code:
12352100
PubChem Substance ID:
24853565
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.436 (lit.)

bp

50-52 °C/0.1 mmHg (lit.)

density

0.871 g/mL at 25 °C (lit.)

functional group

amine

storage temp.

2-8°C

SMILES string

CO\C(NC(C)C)=N/C(C)C

InChI

1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)

InChI key

PUVRRPLSJKDMKH-UHFFFAOYSA-N

Application

o-Methyl-N,N′-diisopropylisourea was used in the synthesis of proline betaine (stahydrine) and 4-hydroxyproline betaine (betoncine).

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

226408-25G:
226408-BULK:
226408-5G:
226408-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
1451597V
BCBL5218V
1451596V
1451596
1451594V

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Betaines derived from amino and hydrazino acids as phase transfer catalysts.
Tetrahedron, 46(6), 1911-1922 (1990)

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