1-Chloropinacolone

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Names

[ Name ]:
1-Chloropinacolone

[Synonym ]:
1-chloro-3,3-dimethylbutan-2-one
1-chloro-3,3-dimethyl-butan-2-one
a-Chloropinacolin
CHLOROPINACOLONE
1-monochloropinacoline
1-Chloro-3,3-dimethyl-2-butanone
1-CHLOROPINACOLIN
2,2-dimethyl-4-chloro-butan-3-one
MFCD00035688
chloromethyl tert-butyl ketone
chlorpinakolin
Chloropinacoline
EINECS 236-920-6
MONOCHLOROPINAKOLONE
1-chlor-3,3-dimethylbutan-2-on
monochloropinacolone
2-Butanone, 1-chloro-3,3-dimethyl-
1-Chloropinacolone
tert-Butyl Chloromethyl Ketone

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
171.5±0.0 °C at 760 mmHg

[ Melting Point ]:
−13 °C(lit.)

[ Molecular Formula ]:
C₆H₁₁ClO

[ Molecular Weight ]:
134.604

[ Flash Point ]:
67.2±0.0 °C

[ Exact Mass ]:
134.049850

[ PSA ]:
17.07000

[ LogP ]:
1.65

[ Vapour Pressure ]:
1.4±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.423

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EL7078000

CHEMICAL NAME :: 2-Butanone, 1-chloro-3,3-dimethyl-

CAS REGISTRY NUMBER :: 13547-70-1

LAST UPDATED :: 199806

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H11-Cl-O

MOLECULAR WEIGHT :: 134.62

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 550 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 355 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4600 mg/m3

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 675 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4675 mg/kg/17W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Kidney, Ureter, Bladder - other changes Related to Chronic Data - death

REFERENCE :: MTPEEI Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. (Mezhdunarodnaya Kniga, ul.B. Yakimanka, 39 117049 Moscow, Russia) No.1- 1993- Volume(issue)/page/year: (7),31,1997

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H311-H315-H319-H330-H335

[ Precautionary Statements ]:
P260-P280-P284-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R22;R24;R26;R36/37/38

[ Safety Phrases ]:
S26-S36-S45-S38-S36/37/39-S28A

[ RIDADR ]:
UN 2810

[ WGK Germany ]:
3

[ RTECS ]:
EL7078000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Pinacolone
[(3,3-Dimethyl-1-buten-2-yl)oxy](trimethyl)silane
pinacoyl (4-methoxyphenyl)tellurium dichloride
2-tert-Butyl-2-chlorooxirane
(1-dichloromethyl-2,2-dimethyl-propoxy)-trimethyl-silane
1-chloro-3,3-dimethyl-2-methylsulfanylbut-1-ene
(Z)-1-chloro-3,3-dimethyl-2-p-tolylthiobut-1-ene
1,1-dichloro-3,3-dimethyl-2-butanol
1-Butene,2-chloro-3,3-dimethyl-
3,3-Dimethyl-1-Butyne

DownStream

Pinacolone
Methyl 4,4-dimethyl-3-oxopentanoate
2-(3,3-dimethyl-2-oxobutyl)cyclohexan-1-one
SNS-032 (BMS-387032)
1,1-Dichloro-3,3-dimethyl-2-butanone
2-(3,3-dimethyl-2-oxo-butyl)isoindole-1,3-dione
Tert-Butylthiol
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Pivaloylacetonitrile

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Articles

[Gas chromatographic determination of monochloropinacoline in the air, water and biological materials].

Gig. Sanit. (1) , 61-2, (1992)

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