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amber furan

Chemical Structure

General Material Information

Preferred name amber furan
Trivial Name 3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, reaction products with 2-propyn-1-ol
Short Description grisalva (IFF)
Formula C17 H28 O2
CAS Number 68611-23-4
ECHA Number 271-889-2
FDA UNII Search
NMR Predictor External link
Synonyms
  • 3a- ethyl dodecahydro-6,6,9a-trimethyl naphtho(2,1-b)furan
  • ethyl dodecahydrotrimethyl naphthofuran
  • grisalva (IFF)
  • naphtho(2,1-b)furan,3a-ethyl dodecahydro-6,6,9a-trimethyl
  • 3-pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, reaction products with 2-propyn-1-ol
  • prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
  • 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-pentanone reaction products with 2-propyn-1-ol
  • trimethyl-2-cyclohexenyl-3-pentanone-2-propynol
  • 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one- prop-2-yn-1-ol(1:1)
  • 3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, reaction products with 2-propyn-1-ol

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:2932.99.8090
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 264.40856933594
Specific gravity @ 25 °C
Pounds per Gallon 7.996 to 8.063
Specific gravity @ 20 °C
Pounds per Gallon 8.014 to 8.081
Refractive Index 1.493 to 1.5 @ 20 °C
Boiling Point 273 to 274°C @ 760 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 93.89 °C TCC
logP (o/w) 6.58
Shelf life 36 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, 0.02049 mg/L @ 25 °C (est) Yes
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Amber
ambergris, animal, dry, amber, fresh, metallic
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1992) At 10.00 % in dipropylene glycol. ambergris animal dry amber fresh metallic
Grisalva is the ethyl analogue of Ambrox, discovered by IFF in the 1960's. Generally, incorporation of an ethyl group in place of a methyl group increases the intensity of the parent chemical. One of the main key characteristics of Grisalva is its exceptional diffusion. The character of ambergris captured in a single chemical of remarkable strength. Diffusive and long lasting. Excellent performance/cost ratio
General comment Ambergris, Animalic/ Animal, Leather/ Leathery

Potential Uses

Applications
Odor purposes Amber , Ambergris , Animal , Earth , Herbal , Leather , Musk , Oriental , Woody
Other purposes Diffusion , Dry
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

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 amber furan usage levels up to:
0.5000 % in the fragrance concentrate.
Recommendation for amber furan 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):68611-23-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :163259
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
Chemidplus:0068611234