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(+)-α-Santalol

(+)-α-Santalol structure

CAS No:
115-71-9
Formula:
C15H24O
Chemical Name:
(+)-α-Santalol
Synonyms:
2-Penten-1-ol,5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-,(2Z)-;2-Penten-1-ol,5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-,[R(Z)]-;α-Santalol;2-Penten-1-ol,5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-,stereoisomer;Tricyclo[2.2.1.02,6]heptane,2-penten-1-ol deriv.;(2Z)-5-[(1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-2-penten-1-ol;Santalol a;Sandal;(+)-α-Santalol;cis-α-Santalol;d-α-Santalol;(Z)-α-Santalol;(+)-(Z)-α-Santalol;14490-13-2;29887-36-3
Categories:
Cosmetic Ingredient > Perfuming

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(+)-α-Santalol Basic Attributes

Molecular Weight：

220.35000

Exact Mass：

220.35

EC Number：

204-102-8

DSSTox ID：

DTXSID9051587

Characteristics

PSA：

20.23000

XLogP3：

3.38740

Density：

0.9770 g/cm³ @ Temp: 25 °C

Boiling Point：

166-167 °C @ Press: 14 Torr

Flash Point：

138.6ºC

Refractive Index：

1.537

Water Solubility：

SOL IN ALC; SLIGHTLY SOL IN PROPYLENE GLYCOL, GLYCERINE

Vapor Pressure：

0.000118mmHg at 25°C

Specific rotation：

SPECIFIC OPTICAL ROTATION: +17.0 DEG @ 20 °C/D

Odor：

SWEET, SANDALWOOD ODOR

Experimental Properties：

SWEET, WOODY AROMA WITH NUTTY TASTE /ALPHA & BETA SANTALOL/|COLORLESS TO SLIGHTLY YELLOW, VISCOUS LIQ /ALPHA & BETA SANTALOL/|SPECIFIC OPTICAL ROTATION: -90.5 DEG @ 20 °C/D /BETA-SANTALOL/

Safety Information

Special Reports：

NATURAL OCCURRENCE, USES, & COMPOSITION OF SANDALWOOD OIL ARE REVIEWED WITH 46 REF.[BUCHBAUER G; SANDALWOOD OIL; SEIFEN, OELE, FETTE, WACHSE 103(5) 125 (1977)]

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 113 companies from 3 notifications to the ECHA C&L Inventory.

NFPA Hazard Classification：

| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

Natural Pollution Sources：

SESQUITERPENE ALC WHICH TOGETHER WITH BETA-SANTALOL COMPRISES ABOUT 90% COMMERCIAL SANDALWOOD OIL...|SANTALOLS ARE FOUND AMONG CONSTITUENTS OF VARIOUS SANDALWOOD SPECIES (SANTALUM ALBUM L, S SPICATUM, S AUTROCALEDONICUM). ALPHA & BETA-ISOMERS ARE PRESENT IN VARYING RATIOS, WITH ALPHA-ISOMER USUALLY MORE ABUNDANT.

(+)-α-Santalol Use and Manufacturing

Methods of Manufacturing

COMMERCIAL PRODUCT IS GENERALLY MIXT OF ALPHA & BETA-SANTALOL OBTAINED BY FRACTIONAL DISTILLATION OF SANDALWOOD OIL. NON-COMMERCIAL SYNTHESES ARE KNOWN.

Formulations：

PURITY: 95% MIN (98% MIN) /ALPHA & BETA SANTALOL/

Manufacturing Info：

2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, (2Z)-: INACTIVE|REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.06-2.0 PPM; ICE CREAM, ICES, ETC 0.35-2 1.0-1.0 PPM; BAKED GOODS 1.0-8.0 PPM; CHEWING GUM 0.20 PPM; REGULATORY STATUS: FDA 121.1164; FEMA NUMBER 3006|REGULATION: 172.515; FLAVORS USEFUL IN NUT, RASPBERRY, TRACES IN FRUIT FLAVORS /ALPHA & BETA SANTALOL/

Analytic Methods：

MAIN CONSTITUENTS OF EAST-INDIAN SANDALWOOD OIL, FORMING HIGHER BOILING FRACTIONS ARE ALPHA & BETA-SANTALOL, BOTH SESQUITERPENE ALC.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:220.35
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:220.182715385
Monoisotopic Mass:220.182715385
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:331
Undefined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (+)-α-Santalol

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

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Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer 99% Dideu

CAS No.: 115-71-9

Grade: Pharmaceutical Grade

Content: 99%

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Guide of (+)-α-Santalol

Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(+)-α-Santalol

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