TERT-BUTYLUREA

Modify Date: 2025-08-23 19:35:49

TERT-BUTYLUREA Structure
TERT-BUTYLUREA structure
Common Name TERT-BUTYLUREA
CAS Number 1118-12-3 Molecular Weight 116.16200
Density 0.962g/cm3 Boiling Point 163.7ºC at 760mmHg
Molecular Formula C5H12N2O Melting Point ~185 °C (dec.)
MSDS USA Flash Point 52.8ºC

 Names

Name tert-butylurea
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.962g/cm3
Boiling Point 163.7ºC at 760mmHg
Melting Point ~185 °C (dec.)
Molecular Formula C5H12N2O
Molecular Weight 116.16200
Flash Point 52.8ºC
Exact Mass 116.09500
PSA 55.12000
LogP 1.54440
Vapour Pressure 2.04mmHg at 25°C
Index of Refraction 1.448
InChIKey JLEHSYHLHLHPAL-UHFFFAOYSA-N
SMILES CC(C)(C)NC(N)=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS3680000
CHEMICAL NAME :
Urea, tert-butyl-
CAS REGISTRY NUMBER :
1118-12-3
BEILSTEIN REFERENCE NO. :
1744501
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H12-N2-O
MOLECULAR WEIGHT :
116.19
WISWESSER LINE NOTATION :
ZVMX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3050 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 219,103,1976

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases R37
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS YS3680000
HS Code 2924199090

 Synthetic Route

 Customs

HS Code 2924199090
Summary 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles1

More Articles
D'hooghe M and De Kimpe N.

Tetrahedron 64(15) , 3275-3285, (2008)

 Synonyms

tert-Butylharnstoff
tert-Butylurea
1-tert-butylurea
EINECS 214-257-3
tert.-butylurea
1,1-dimethylethylurea
MFCD00025448
UREA,tert-BUTYL
N-tert-Butylurea
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