Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester

Modify Date: 2025-09-02 12:25:49

Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester Structure
Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester structure
 Common Name Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester
CAS Number 6289-19-6 Molecular Weight 203.23700
Density 1.137g/cm3 Boiling Point 254ºC at 760 mmHg
Molecular Formula C12H13NO2 Melting Point N/A
MSDS N/A Flash Point 107.4ºC

 Names

Name 2-methylbut-3-yn-2-yl N-phenylcarbamate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.137g/cm3
Boiling Point 254ºC at 760 mmHg
Molecular Formula C12H13NO2
Molecular Weight 203.23700
Flash Point 107.4ºC
Exact Mass 203.09500
PSA 38.33000
LogP 2.71990
Index of Refraction 1.569
InChIKey ULBSSUIJJSCNPA-UHFFFAOYSA-N
SMILES C#CC(C)(C)OC(=O)Nc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FD8891000
CHEMICAL NAME :
Carbanilic acid, 1,1-dimethyl-2-propynyl ester
CAS REGISTRY NUMBER :
6289-19-6
BEILSTEIN REFERENCE NO. :
2101240
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
1UU1X1&1&OVMR

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 :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 7,85,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03260

 Synthetic Route

Phenylisocyanate structure

Phenylisocyanate

CAS#:103-71-9

3-Methyl butynol structure

3-Methyl butynol

CAS#:115-19-5

~97%

Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester Structure

Phenylcarbamic ...

CAS#:6289-19-6

Literature: Stock, Christian; Brueckner, Reinhard Synlett, 2010 , # 16 p. 2429 - 2434
3-Methyl butynol structure

3-Methyl butynol

CAS#:115-19-5

~%

Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester Structure

Phenylcarbamic ...

CAS#:6289-19-6

Literature: Carpino,L.A. et al. Journal of Organic Chemistry, 1970 , vol. 35, p. 3291 - 3295
structure

CAS#:74497-02-2

3-Methyl butynol structure

3-Methyl butynol

CAS#:115-19-5

~%

Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester Structure

Phenylcarbamic ...

CAS#:6289-19-6

Literature: Nasarow; Schwechgeimer Zhurnal Obshchei Khimii, 1959 , vol. 29, p. 457,460; engl. Ausg. S. 459, 461
carbonochloridic acid, 1,1-dimethyl-2-propynyl ester structure

carbonochloridi...

CAS#:25557-94-2

structure

CAS#:74497-02-2

~%

Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester Structure

Phenylcarbamic ...

CAS#:6289-19-6

Literature: Carpino,L.A. et al. Journal of Organic Chemistry, 1970 , vol. 35, p. 3291 - 3295

 Synonyms

3-Butyn-2-ol,phenylcarbamate
2-methyl-3-butyn-2-ol
2-methylbut-3-yn-2-yl phenylcarbamate
1,1-dimethylprop-2-ynyl phenylcarbamate
phenylcarbamate
3-methyl-3-phenylcarbamoyloxy-but-1-yne
WLN: 1UU1X1&CARBANILIC ACID,1,1-DIMETHYL-2-PROPYNYL ESTER
1,1-Dimethyl-2-propynylcarbanilate
1&OVMR
Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester
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Chemsrc provides CAS#:6289-19-6 MSDS, density, melting point, boiling point, structure, etc. Its name is Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester>> amp version: Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester

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