herbal acetal

General Material Information

Preferred name	herbal acetal
Trivial Name	2-Butyl-4,4,6-trimethyl-1,3-dioxane
Short Description	herboxane (Givaudan)
Formula	C11 H22 O2
CAS Number	54546-26-8
ECHA Number	259-210-8
FDA UNII	Search
Nikkaji Number	J266.909I
xLogP3-AA	3.10 (est)
NMR Predictor	External link
Synonyms	2-butyl-4,4,6-trimethyl-1,3-dioxane 1,3-dioxane, 2-butyl-4,4,6-trimethyl- herbacetal herbox (Tadimety) herboxane (Givaudan) 2,4-O- pentylidene-2-methyl pentane-2,4-diol valeraldehyde hexylene glycol acetal valeraldehyde hexyleneglycol acetal 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- 2-Butyl-4,4,6-trimethyl-1,3-dioxane Herboxane

(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

Augustus Oils	BOC Sciences
Diffusions Aromatiques	Ernesto Ventós
Givaudan	Indukern F&F
Lluch Essence	Moellhausen
PCW France	Penta International
SRS Aromatics	Tadimety Aromatics
The John D. Walsh Company	Tianjin Danjun International
Vigon International	Augustus Oils Ltd
Indukern, S.A. F&F Ingredients Division	Lluch Essence S.L.
Moellhausen S.P.A.	Penta International Corporation
SRS Aromatics Ltd	Tadimety Aromatics Private Limited
The John D. Walsh Company, Inc	Tianjin Danjun International Trade Co., LTD.
Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	186.29473876953
Specific gravity	@ 25 °C
Pounds per Gallon	7.372 to 74.057
Refractive Index	1.427 to 1.431 @ 20 °C
Boiling Point	206 to 207°C @ 760 mm Hg
Vapor Pressure	0.33 mmHg @ 25 °C
Flash Point TCC Value	74.44 °C TCC
logP (o/w)	3.265 est
Solubility
alcohol	Yes
water, 68.81 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Herbal
herbal, spicy, chamomile, green, basil
Odor strength	medium
Substantivity	< 4 hour(s) at 100.00 %
Luebke, William tgsc, (1985)	At 100.00 %. herbal spice chamomile green basil
Flavor Type: Herbal
herbal, green, spicy, juniper, nutmeg, allspice
Luebke, William tgsc, (1985)	Herbal green spicy juniper nutmeg allspice

Applications	fragrance agents
Odor purposes	Amber, Balsam, Chamomile, Herbal, Musk, Oriental, Pine, Spice
Cosmetic purposes	Perfuming agents

European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.

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 Food and Chemical Toxicology. Vol. 30, Pg. 15S, 1992.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 15S, 1992.
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 herbal acetal usage levels up to:
	30.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):54546-26-8

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :94569

National Institute of Allergy and Infectious Diseases:Data

2-butyl-4,4,6-trimethyl-1,3-dioxane

Chemidplus:0054546268