clary octenone

General Material Information

Preferred name	clary octenone
Trivial Name	Claritone
Short Description	claritone (Symrise)
Formula	C12 H22 O
CAS Number	74338-72-0
FDA UNII	Search
Nikkaji Number	J1.977.540B
xLogP3-AA	3.80 (est)
NMR Predictor	External link
Synonyms	claritone (Symrise) 2,4,4,7-tetramethyl-6-octen-3-one 2,4,4,7-tetramethyloct-6-en-3-one 2,4,4,7-tetramethyloct-6-en-3-one 6-Octen-3-one, 2,4,4,7-tetramethyl- 2,4,4,7-Tetramethyl-6-octen-3-one Claritone

(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

Material listed in food chemical codex	No
Molecular weight	182.30653381348
Specific gravity	@ 25 °C
Pounds per Gallon	7.023 to 7.056
Refractive Index	1.444 to 1.45 @ 20 °C
Boiling Point	238 to 239°C @ 760 mm Hg
Vapor Pressure	0.01 mmHg @ 20 °C
Vapor Density	6.3
Flash Point TCC Value	78.89 °C TCC
logP (o/w)	3.67
Solubility
alcohol	Yes
water, 28.12 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Herbal
sweet, herbal, sage clary sage, bergamot, petitgrain, tropical, citrus
Odor strength	medium
Substantivity	5 hour(s) at 100.00 %
Luebke, William tgsc, (2009)	At 100.00 %. sweet herbal clary sage bergamot petitgrain tropical citrus
Stable in: body lotion (good), shampoo (good), soap (very good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (very good), bleach (poor).	Fresh, green, citrus herbal top note with floral peony-like accents, reminiscent of the natural fruity freshness of grapefruit and clary sage oil
General comment	Fresh, green, citrus herbal top note with floral peony-like accents, reminiscent of the natural fruity freshness of grapefruit and clary sage oil

Applications	fragrance agents
Odor purposes	Agate, Agrumen aldehyde, Ajowan, Alpine bouquet, Angelica, Arnica flower, Ash mountain ash berry, Basil oil replacer, Bayberry, Bayberry, Blue grass, Cajeput, Calamus oil replacer, Camphor tree bark, Caraway seed, Carrot seed, Celery, Chamomile, Chrysanthemum, Cilantro, Clary sage oil replacer, Coriander, Country meadow, Cranberry, Cubeb, Currant bud absolute replacer, Cypress oil replacer, Deertongue absolute replacer, Dill weed, Elder flower, Eucalyptus oil replacer, Fennel, Fig, Flouve, Forest, Genet, Ginger white ginger, Gingergrass, Heather, Herbal, Hollyberry, Hop, Hyssop, Ivy, Lavandin, Lavender, Lavender flower, Lavender spike lavender, Lovage root, Marigold, Marjoram, Melissa oil replacer, Myrtle oil replacer, Niaouli, Oregano, Parsley leaf, Pine forest, Reseda, Rosemary, Rue, Saffron, Savin, Spruce, Sweet grass, Tansy oil replacer, Tea green tea, Thyme oil white replacer, Valerian, Witch hazel, Woodruff, Wormwood oil replacer, Yerba mate, Yew
Flavoring purposes	Ajowan, Angelica, Cajeput, Camphor tree bark, Capsicum, Caraway seed, Carrot, Carrot seed, Chervil, Cilantro, Coriander, Cubeb, Currant bud absolute replacer, Dill weed, Gin, Hyssop, Lavender flower, Lavender spike lavender, Lovage root, Marigold, Marjoram, Parsley leaf, Rue, Savin, Tansy oil replacer, Tea, Tea black tea, Tea herbal tea, Tea lemon tea, Valerian, Yerba mate
Other purposes	Parsnip, Tea china


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

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 clary octenone usage levels up to:
	8.0000 % in the fragrance concentrate.

Recommendation for clary octenone flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):74338-72-0

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :9815427

National Institute of Allergy and Infectious Diseases:Data

2,4,4,7-tetramethyloct-6-en-3-one

Chemidplus:0074338720