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alpha-cedrene epoxide

Chemical Structure

General Material Information

Preferred name alpha-cedrene epoxide
Trivial Name 8α,9α-Epoxycedrane
Short Description andrane (IFF)
Formula C15 H24 O
CAS Number 13567-39-0
Deleted CAS Number 11000-57-0
ECHA Number 236-971-4
FDA UNII Search
Nikkaji Number J286.908J
xLogP3-AA 3.90 (est)
NMR Predictor External link
Synonyms
  • andrane (IFF)
  • andrane extra (IFF)
  • cedr-8-ene epoxide
  • cedrane, 8,9-epoxide
  • cedrane, 8,9a-epoxy-
  • a- cedrene epoxide
  • diepi-a- cedrene epoxide
  • a- cedrene epoxide (seride)
  • a- cedrene oxide
  • di-epi- cedrenoxide
  • 8,9-epoxy cedrane
  • 8,9-epoxycedrane
  • 2H-2a,7-methanoazuleno(5,6-b)oxirene, octahydro-3,6,6,7a-tetramethyl-, (1aS,2aR,3R,5aS,7R,7aR)-
  • 2H-2a,7-methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-
  • (1aS-(1aa,2ab,3aa,5aa,7b,7aa))- octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno(5,6-b)oxirane
  • (1aS-(1aalpha,2abeta, 3alpha,5aalpha,7beta,7aalpha))- octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno(5,6-b)oxirene
  • (1aS,2aR,3R, 5aS,7R,7aR)- octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanozuleno 5,6-b oxirene
  • 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-, (1aS,2aR,3R,5aS,7R,7aR)-
  • Cedrane, 8,9α-epoxy-
  • 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-, [1aS-(1aα,2aβ,3α,5aα,7β,7aα)]-
  • (1aS,2aR,3R,5aS,7R,7aR)-Octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno[5,6-b]oxirene
  • 8α,9α-Epoxycedrane
  • (1aS,2aR,3R,5aS,7R,7aR)-3,6,6,7a-Tetramethyloctahydro-2H-2a,7-methanoazuleno[5,6-b]oxirene
  • Ambrinol epoxide

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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:2910.90.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 220.35548400879
Specific gravity @ 25 °C
Pounds per Gallon 8.279 to 8.346
Specific gravity @ 20 °C
Pounds per Gallon 8.297 to 8.364
Refractive Index 1.493 to 1.5 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.016 mmHg @ 25 °C
Flash Point TCC Value 93.89 °C TCC
logP (o/w) 4.92
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 6.632 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
liquid detergent Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Woody
woody, amber, tobacco, sandalwood, fresh, herbal, patchouli
Odor strength medium
Substantivity 96 hour(s) at 100.00 %
Luebke, William tgsc, (1983) At 100.00 %. woody amber tobacco sandalwood fresh linalyl acetate patchouli
Recommended Uses: Personal care, home care, fabric care, fine fragrance, air care A precious wood odor reminiscent of ambergris, tobacco, cedarwood and sandalwood. It is powerful, stable, excellent in soap and useful in artificial patchouli

Potential Uses

Applications
Odor purposes Amber, Ambergris, Herbal, Lavender, Oriental, Patchouli, Sandalwood, Tobacco
Other purposes Dry
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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:
oral-rat LD50 > 5000 mg/kg
Recommended Uses: Personal care, home care, fabric care, fine fragrance, air care

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Recommended Uses: Personal care, home care, fabric care, fine fragrance, air care

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 alpha-cedrene epoxide usage levels up to:
10.0000 % in the fragrance concentrate.
Recommendation for alpha-cedrene epoxide 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):13567-39-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :122510
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
Chemidplus:0013567390