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citronellyl ethoxalate

Chemical Structure

General Material Information

Preferred name citronellyl ethoxalate
Trivial Name 1-(3,7-Dimethyl-6-octen-1-yl) 2-ethyl ethanedioate
Short Description ethyl citronellyl oxalate
Formula C14 H24 O4
CAS Number 60788-25-2
ECHA Number 262-433-3
FDA UNII Search
Nikkaji Number J268.293A
xLogP3-AA 4.40 (est)
NMR Predictor External link
Synonyms
  • citronellyl ethyl oxalate
  • 3,7-dimethyl-6-octen-1-yl ethyl oxalate
  • 3,7-dimethyloct-6-en-1-yl ethyl oxalate
  • 3,7-dimethyloct-6-enyl ethyl oxalate
  • 1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
  • ethane dioic acid 3,7-dimethyl-6-octenyl ethyl ester
  • ethanedioic acid, 3,7-dimethyl-6-octen-1-yl ethyl ester
  • ethanedioic acid, 3,7-dimethyl-6-octenyl ethyl ester
  • ethyl citronellyl oxalate
  • oxalic acid 3,7-dimethyl-6-octenyl ethyl ester
  • 1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
  • Ethanedioic acid, 1-(3,7-dimethyl-6-octen-1-yl) 2-ethyl ester
  • 1-(3,7-Dimethyl-6-octen-1-yl) 2-ethyl ethanedioate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2917.11.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 256.3420715332
Specific gravity @ 25 °C
Pounds per Gallon 8.063 to 81.296
Specific gravity @ 20 °C
Pounds per Gallon 80.808 to 81.474
Refractive Index 1.446 to 1.45 @ 20 °C
Boiling Point 320 to 321°C @ 760 mm Hg
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.3
Solubility
alcohol Yes
water, 6.857 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, lily, muguet, rose, aldehydic, lychee, waxy
Odor strength medium
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 100.00 %. sweet lily muguet rose aldehydic lychee waxy

Potential Uses

Applications
Odor purposes Floral, Lilac, Lily, Lily of the valley, Lychee, Musk, Rose, Rose tea rose, Strawberry
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for citronellyl ethoxalate usage levels up to:
10.0000 % in the fragrance concentrate.
Recommendation for citronellyl ethoxalate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):60788-25-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108515
National Institute of Allergy and Infectious Diseases:Data
1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
Chemidplus:0060788252