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42604-12-6

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Basic Information
CAS No.: 42604-12-6
Name: (methoxymethoxy)cyclododecane
Article Data: 3
Molecular Structure:
Molecular Structure of 42604-12-6 ((methoxymethoxy)cyclododecane)
Formula: C14H28O2
Molecular Weight: 228.375
Synonyms: Formaldehyde cyclodecyl methyl acetal;cyclododecyl methoxymethyl ether;Methoxymethoxycyclododekan;Formaldehyde cyclododecyl methyl acetal;Boisambrene;Formaldehyd-methyl-cyclododecylacetal;Methoxycyclodocecyloxymethane;EINECS 255-908-1;
Density: 0.89g/cm3
Boiling Point: 279.3°Cat760mmHg
Flash Point: 85.9°C
Safety: Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 18.46000
LogP: 4.28020
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Chemistry

Product Name: Formaldehyde cyclododecyl methyl acetal (CAS NO.42604-12-6)


Molecular Formula: C14H28O2
Molecular Weight: 228.37092g/mol
Mol File: 42604-12-6.mol
EINECS: 255-908-1
Boiling point: 279.3 °C at 760 mmHg
Flash Point: 85.9 °C
Density: 0.89 g/cm3
Surface Tension: 31.1 dyne/cm
Enthalpy of Vaporization: 49.72 kJ/mol
Vapour Pressure: 0.00686 mmHg at 25°C
XLogP3-AA: 5.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Formaldehyde cyclododecyl methyl acetal (CAS NO.42604-12-6):
  IUPAC Name: methoxymethoxycyclododecane
  Canonical SMILES: COCOC1CCCCCCCCCCC1
  InChI: InChI=1S/C14H28O2/c1-15-13-16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3 
  InChIKey: HPTIDIPGIUCQFC-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 327, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 327, 1988.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Formaldehyde cyclododecyl methyl acetal , its CAS NO. is 42604-12-6, the synonyms are BRN 2432409 ; Boisambrene ; EINECS 255-908-1 ; Formaldehyde cyclodecyl methyl acetal ; Methoxycyclodocecyloxymethane ; (Methoxymethoxy)cyclododecane ; Cyclododecane, (methoxymethoxy)- .