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Substance Name: Dichloropinacolin
RN: 22591-21-5
UNII: Q287GUL608
InChIKey: UDWZXMQIEHAAQT-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-Cl2-O

Molecular Weight

  • 169.05
 
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Names and Synonyms

Name of Substance

  • Dichloropinacolin

Synonyms

  • 1,1-Dichloro-3,3-dimethyl-2-butanone
  • 4-01-00-03313 (Beilstein Handbook Reference)
  • BRN 1752918
  • Dichloromethyl tert-butyl ketone
  • Dichloropinacolin
  • Dichloropinakolin
  • EINECS 245-111-7
  • omega,omega-Dichlorpinakolin
  • omega,omega-Dichlorpinakolin [German]
  • UNII-Q287GUL608

Systematic Names

  • 1,1-Dichloro-3,3-dimethylbutan-2-one
  • 2-Butanone, 1,1-dichloro-3,3-dimethyl-

Superlist Name

  • 2-Butanone, 1,1-dichloro-3,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 22591-21-5

FDA UNII

  • Q287GUL608

System Generated Number

  • 0022591215

Structure Descriptors

InChI

1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3

InChIKey

UDWZXMQIEHAAQT-UHFFFAOYSA-N

Smiles

C(C(C)(C)C)(C(Cl)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 2gm/kg (2000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
"Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934Vol. -, Pg. -, 1934.
hamster LC50 inhalation > 1234mg/m3/4H (1234mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0571099,
mouse LC50 inhalation 643mg/m3/4H (643mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0571099,
mouse LD50 oral 4150mg/kg (4150mg/kg) BEHAVIORAL: WITHDRAWAL

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 92, 1987.
rabbit LC50 inhalation 1234mg/m3/4H (1234mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0571099,
rabbit LD50 oral 3550mg/kg (3550mg/kg) BEHAVIORAL: WITHDRAWAL

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 92, 1987.
rat LC50 inhalation 643mg/m3/4H (643mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0571099,
rat LD50 oral 1300mg/kg (1300mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: HEMORRHAGE

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0571099,
rat LD50 skin 5gm/kg (5000mg/kg) BLOOD: HEMORRHAGE

GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0571099,