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Substance Name: Myrtenal
RN: 564-94-3
UNII: 8J97443QRZ
InChIKey: KMRMUZKLFIEVAO-IUCAKERBSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.2196
 
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Names and Synonyms

Name of Substance

  • Myrtenal

Synonyms

  • 2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene
  • 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-
  • 6,6-Dimethyl-2-norpinene-2-carboxaldehyde
  • 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde
  • Benihinal
  • Bicyclo(3.1.1)hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-
  • EINECS 209-274-8
  • FEMA No. 3395
  • Myrtenal
  • NSC 54384
  • UNII-8J97443QRZ

Systematic Names

  • 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-
  • Bicyclo(3.1.1)hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-
  • Pin-2-ene-1-carbaldehyde

Superlist Name

  • Myrtenal

Registry Numbers

CAS Registry Number

  • 564-94-3

FDA UNII

  • 8J97443QRZ

Other Registry Number

  • 57526-63-3

System Generated Number

  • 0000564943

Structure Descriptors

InChI

InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1

InChIKey

KMRMUZKLFIEVAO-IUCAKERBSA-N

Smiles

CC1(C)[C@H]2CC=C(C=O)[C@@H]1C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 170mg/kg (170mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 329, 1988.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 329, 1988.
rat LD50 oral 2300mg/kg (2300mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 329, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 220.5 deg C   EXP
log P (octanol-water) 2.98 (none)   EXP

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