sandal glycol acetal

General Material Information

Preferred name	sandal glycol acetal
Trivial Name	2,5,5-Trimethyl-2-phenyl-1,3-dioxane
Short Description	acetoketal (Takasago)
Formula	C13 H18 O2
CAS Number	5406-58-6
ECHA Number	226-466-7
FDA UNII	2P1XRA5CRY
Nikkaji Number	J135.012I
xLogP3-AA	2.70 (est)
Bio Activity Summary	External link
NMR Predictor	External link
Synonyms	acetoketal (Takasago) acetophenone neopentyl glycol acetal 2-cyclohexyl-2,5,5-trimethyl-1,3-dioxane 1,3-dioxane, 2,5,5-trimethyl-2-phenyl- m- dioxane, 2,5,5-trimethyl-2-phenyl- 2,5,5-trimethyl-2-phenyl-1,3-dioxane 2,5,5-trimethyl-2-phenyl-m-dioxane 2,5,5-trimethyl-2-phenyl-meta-dioxane 2-cyclohexyl-2,5,5-trimethyl-1,3-dioxane 1,3-Dioxane, 2,5,5-trimethyl-2-phenyl- m-Dioxane, 2,5,5-trimethyl-2-phenyl- 2,5,5-Trimethyl-2-phenyl-1,3-dioxane NSC 7039

(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

BOC Sciences	Inoue Perfumery
Penta International	Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	206.28486633301
Specific gravity	@ 25 °C
Pounds per Gallon	9.02 to 9.095
Refractive Index	1.43 to 1.435 @ 20 °C
Boiling Point	63 to 65°C @ 3 mm Hg
Vapor Pressure	0.009 mmHg @ 25 °C
Flash Point TCC Value	93.33 °C TCC
logP (o/w)	3.039 est
Solubility
alcohol	Yes
water, slightly	Yes
water, 21.04 mg/L @ 25 °C (est)	Yes
water	No
Stability
antiperspirant	Unspecified
detergent	Unspecified
fabric softener	Unspecified
soap	Unspecified

Odor Type: Woody
woody, sandalwood, camphoreous, hawthorn, sweet
Odor strength	medium
Substantivity	49 hour(s) at 100.00 %
Luebke, William tgsc, (1988)	At 100.00 %. woody sandalwood camphor methyl acetophenone sweet

Applications	fragrance agents
Odor purposes	Acacia, Almond, Amber, Ambreine, Amyris, Animal, Apple blossom, Crabapple, Autumn, Azalea, Balsam, Bayberry, Beeswax absolute replacer, Blue grass, Botanical, Bouquet, Calamus oil replacer, Carnation, Cassia, Cassia blossom, Castoreum, Cedar, Cedar forest, 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, Gardenia, Genet, Ginger white ginger, Habuba, Hawthorn, Hay new mown hay, Heather, Herbal, Hibiscus, Hollyberry, Honeysuckle, Hyacinth, Immortelle, Incense, Jasmin, Jonquil, Kiwi blossom, Labdanum, Lavender, Leather, Lilac, Lily, Lily of the valley, Linden flower, Lotus, Magnolia, Mango flower, Moss, Musk, Myrrh, New car, Ocean sea, Orange blossom, Orchid, Oriental, Pansy, Patchouli, Peach blossom, Pear blossom, Peony, Pine, Pinion, Plum blossom, Poppy, Potpourri, Powder, Rain, Redwood, Rose, Rose moss rose, Rose tea rose, Rose white rose, Sage, Sandalwood, Scented stock, Soapy sandalwood moss, Spice, Spring rain, Sweet grass, Sweet pea, Tobacco, Vetiver, Woodruff, Woody
Flavoring purposes	Immortelle, Tropical
Other purposes	Clean, Fantasy blends, Warm
Cosmetic purposes	Perfuming agents

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

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 glycol acetal usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for sandal glycol acetal flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):5406-58-6

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :79409

National Institute of Allergy and Infectious Diseases:Data

2-cyclohexyl-2,5,5-trimethyl-1,3-dioxane

Chemidplus:0005406586