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acorn acetate

Chemical Structure

General Material Information

Preferred name acorn acetate
Trivial Name Cyclohexanol, 1-ethynyl-, 1-acetate
Short Description herbacet no.1 (IFF)
Formula C10 H14 O2
CAS Number 5240-32-4
ECHA Number 226-040-0
FDA UNII N95BG68JVK
Nikkaji Number J55.432D
Beilstein Number 2045236
xLogP3-AA 1.80 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 1-acetoxy-1-ethynyl cyclohexane
  • 1-acetoxy-1-ethynylcyclohexane
  • cyclohexanol, 1-ethynyl-, 1-acetate
  • cyclohexanol, 1-ethynyl-, acetate
  • cyclohexanol,1-ethynyl-,acetate
  • 1-ethynyl cyclohexanol acetate
  • 1-ethynyl cyclohexyl acetate
  • (1-ethynyl cyclohexyl) acetate
  • 1-ethynylcyclohexanol acetate
  • 1-ethynylcyclohexyl acetate
  • (1-ethynylcyclohexyl) acetate
  • herbacet (IFF)
  • herbacet no.1 (IFF)
  • (1-ethynylcyclohexyl) acetate
  • ENT 7068
  • 1-Ethynylcyclohexyl acetate
  • 1-Ethynylcyclohexanol acetate
  • 1-Acetoxy-1-ethynylcyclohexane
  • NSC 22257

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:2915.39.9050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 166.21998596191
Specific gravity @ 25 °C
Pounds per Gallon 8.329 to 8.396
Specific gravity @ 20 °C
Pounds per Gallon 8.347 to 8.414
Refractive Index 1.463 to 1.468 @ 20 °C
Boiling Point 201 to 202°C @ 760 mm Hg
Vapor Pressure 0.303 mmHg @ 25 °C
Flash Point TCC Value 81.67 °C TCC
logP (o/w) 2.18 est
Solubility
alcohol Yes
water, 252.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
natural, acorn, dry, hay, woody, immortelle, herbal
Odor strength medium
Substantivity 72 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 100.00 %. natural acorn dry oak leaves hay woody immortelle herbal
General comment Powerful, natural fresh woody tone with hay and honey, immortelle aspects

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:
intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05135

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 acorn acetate usage levels up to:
10.0000 % in the fragrance concentrate.
Recommendation for acorn acetate 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):5240-32-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78903
National Institute of Allergy and Infectious Diseases:Data
(1-ethynylcyclohexyl) acetate
Chemidplus:0005240324