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Substance Name: Acetal
RN: 105-57-7
UNII: 5G14F9E2HB
InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O2

Molecular Weight

  • 118.175
 
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Names and Synonyms

Name of Substance

  • Acetal

Synonyms

  • 1,1-Diaethoxy-aethan
  • 1,1-Diaethoxy-aethan [German]
  • 1,1-Diethoxy-ethaan
  • 1,1-Diethoxy-ethaan [Dutch]
  • 1,1-Diethoxyethane
  • 1,1-Dietossietano
  • 1,1-Dietossietano [Italian]
  • 4-01-00-03103 (Beilstein Handbook Reference)
  • Acetaal
  • Acetaal [Dutch]
  • Acetal
  • Acetal (natural)
  • Acetal diethylique
  • Acetal diethylique [French]
  • Acetaldehyde diethyl acetal
  • Acetaldehyde ethyl acetal
  • Acetale
  • Acetale [Italian]
  • Acetol
  • AI3-24135
  • BRN 1098310
  • Diaethylacetal
  • Diaethylacetal [German]
  • Diethyl acetal
  • Diethylacetal
  • EINECS 203-310-6
  • Ethane, 1,1-diethoxy-
  • Ethylidene diethyl ether
  • Ethylidenediethyl ether
  • FEMA No. 2002
  • HSDB 1635
  • NSC 7624
  • UNII-5G14F9E2HB
  • USAF DO-45

Systematic Names

  • 1,1-Diethoxyethane
  • Acetaldehyde, diethyl acetal
  • Ethane, 1,1-diethoxy-

Superlist Names

  • Acetal
  • Acetal [UN1088] [Flammable liquid]
  • Ethane, 1,1-diethoxy-
  • UN1088

Registry Numbers

CAS Registry Number

  • 105-57-7

FDA UNII

  • 5G14F9E2HB

System Generated Number

  • 0000105577

Structure Descriptors

InChI

1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3

InChIKey

DHKHKXVYLBGOIT-UHFFFAOYSA-N

Smiles

C(OCC)(OCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 3500mg/kg (3500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(3), Pg. 12, 1977.
rabbit LD50 oral 3545mg/kg (3545mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.
rat LCLo inhalation 4000ppm/4H (4000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 intraperitoneal 900mg/kg (900mg/kg)   "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1982, 1963.
rat LD50 oral 4600mg/kg (4600mg/kg)   Medizin und Ernaehrung. Vol. 8, Pg. 244, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+02 deg C   EXP
Boiling Point 102.2 deg C   EXP
log P (octanol-water) 0.84 (none)   EXP
Water Solubility 4.40E+04 mg/L 25 EXP
Vapor Pressure 27.6 mm Hg 25 EXP
Henry's Law Constant 9.75E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.96E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.