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sandal pentenone

Chemical Structure

General Material Information

Preferred name sandal pentenone
Trivial Name 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-one
Short Description sandex (Givaudan)
Formula C14 H22 O
CAS Number 65113-95-3
ECHA Number 265-450-4
FDA UNII Search
Nikkaji Number J286.685D
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • (E)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl) pent-3-en-2-one
  • (E)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-3-en-2-one
  • 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl) pent-3-en-2-one
  • 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-one
  • 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one
  • 3-methyl-5-(2,2,3-trimethyl-3-cyclopentenyl) pent-3-en-2-one
  • 3-penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)
  • sandex (Givaudan)
  • (E)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-3-en-2-one
  • 3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
  • 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-one

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.3285369873
Specific gravity @ 25 °C
Pounds per Gallon 7.63 to 7.697
Refractive Index 1.485 to 1.492 @ 20 °C
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.305 est
Solubility
alcohol Yes
water, 2.98 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Woody
woody, orris, floral, powdery, sandalwood
Odor strength medium
Substantivity 192 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. woody methyl ionone 4-t-butyl cyclohexyl acetate sandalwood

Potential Uses

Applications
Odor purposes Acacia, Almond, Amber, Ambreine, Amyris, Angel essence, Animal, Apple, Apple blossom, Crabapple, Armoise, Autumn, Azalea, Balsam, Bark, Bayberry, Beeswax absolute replacer, Blackberry, Blue grass, Bluebell, Blueberry, Botanical, Bouquet, Butterscotch, Cabreuva wood, Calamus oil replacer, Carnation, Cassia, Cassia blossom, Castoreum, Cedar, Cedar, Cedar forest, Cherry, Cherry black cherry, Cherry blossom, Clean linen, Clove blossom, Clover, Coconut, Coronilla, Country meadow, Crabapple blossom, Daffodil, Dahlia, Daisy, Daphne, Fagonia, Fern, Fir balsam, Fir needle oil replacer, Floral, Flouve, Foliage, Forest, Frangipani plumeria, Freesia, Fresh and clean, Gardenia, Genet, Ginger white ginger, Gooseberry, Habuba, Hawthorn, Hay new mown hay, Heather, Herbal, Hibiscus, Hinoki oil replacer, Hollyberry, Honeysuckle, Hyacinth, Immortelle, Incense, Jasmin, Jonquil, Kewda, Kiwi, Kiwi blossom, Labdanum, Lavender, Leather, Lilac, Lily, Lily of the valley, Linden flower, Loganberry, Lotus, Lychee, Magnolia, Mango, Mango flower, Moss, Mulberry, Musk, Myrrh, Neroli, New car, Ocean sea, Orange blossom, Orchid, Pansy, Patchouli, Peach blossom, Pear blossom, Peony, Pine, Pineapple, Pinion, Plum blossom, Poppy, Potpourri, Powder, Pumpkin pie, Rain, Raspberry, Redwood, Rose, Rose moss rose, Rose tea rose, Rose white rose, Sage, Sandalwood, Scented stock, Soapy sandalwood moss, Spice, Spring rain, Strawberry, Sweet grass, Sweet pea, Tobacco, Toffee, Tonka bean, Tuberose, Vanilla, Vetiver, Violet, Woodruff, Woody
Flavoring purposes Butter rum, Caramel, Cloudberry bakeapple, Immortelle, Molasses, Starfruit, Tropical
Other purposes Fantasy blends, Warm, Waxy
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:
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 sandal pentenone usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for sandal pentenone 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):65113-95-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6436969
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(E)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-3-en-2-one
Chemidplus:0065113953