(+)-alpha-santalyl acetate

General Material Information

Preferred name	(+)-alpha-santalyl acetate
Trivial Name	α-Santalol acetate
Short Description	alpha-santalol acetate
Formula	C17 H26 O2
CAS Number	41414-75-9
Deleted CAS Number	77-87-2
FDA UNII	X7GK783K17
xLogP3-AA	4.50 (est)
NMR Predictor	External link
Synonyms	5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate stereoisomer 5-(2,3-dimethyl tricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-2-penten-1-ol acetate stereoisomer 2-penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, acetate, stereoisomer a- santalol acetate alpha- santalol acetate (+)-a- santalyl acetate 2-Penten-1-ol, 5-[(1R,3R,4S)-1,2-dimethyl-1-cyclohexyl]-2-methyl-, 1-acetate, (2Z)- 2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-, acetate, stereoisomer 2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, acetate, (2Z)- Tricyclo[2.2.1.02,6]heptane, 2-penten-1-ol deriv. α-Santalol acetate (+)-α-Santalyl acetate α-Santalyl acetate (Z)-α-Santalol acetate

(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):	HMDB37209
FooDB:	FDB016216
Export Tariff Code:	2915.39.9050
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	262.39260864258
Boiling Point	323 to 325°C @ 760 mm Hg
Vapor Pressure	0.000233 mmHg @ 25 °C
Flash Point TCC Value	106.11 °C TCC
logP (o/w)	5.355 est
Solubility
alcohol	Yes
water, 0.1615 mg/L @ 25 °C (est)	Yes
water	No

Applications	flavor and fragrance agents
Odor purposes	Apricot , Balsam , Berry , Geranium , Heather , Lilac , Musk , Oriental , Peach , Pineapple , Root , Sandalwood

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 Food and Cosmetics Toxicology. Vol. 12, Pg. 993, 1974.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 993, 1974.
Inhalation Toxicity:
Not determined

Category:
flavor and 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 (+)-alpha-santalyl acetate usage levels up to:
	10.0000 % in the fragrance concentrate.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6445771

National Institute of Allergy and Infectious Diseases:Data

[(Z)-5-[(1R,3R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl]-2-methylpent-2-enyl]acetate

Chemidplus:0041414759