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[1S-[1alpha,2alpha(Z),4alpha]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol, also known as (Z)-β-Santalol, is a key component of sandalwood oil. It is a naturally occurring sesquiterpene alcohol with a unique molecular structure and a distinct aroma profile.

77-42-9

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77-42-9 Usage

Uses

Used in Fragrance Industry:
(Z)-β-Santalol is used as a key ingredient in the fragrance industry for its unique and pleasant aroma. It is widely used in perfumes, colognes, and other scented products to provide a long-lasting and sophisticated scent.
Used in Skincare Applications:
(Z)-β-Santalol is used as an active ingredient in skincare products to suppress lipopolysaccharide-stimulated cytokine/chemokine production in skin cells. This helps in reducing inflammation and promoting skin health.
Used in Aromatherapy:
(Z)-β-Santalol is used in aromatherapy for its calming and soothing properties. It is believed to have a positive impact on mood and stress levels, promoting relaxation and well-being.
Used in Cosmetic Industry:
(Z)-β-Santalol is used in the cosmetic industry for its unique scent and skin-friendly properties. It is incorporated into various cosmetic products such as creams, lotions, and body oils to provide a pleasant fragrance and improve skin health.
Used in Flavor Industry:
(Z)-β-Santalol can also be used in the flavor industry to impart a unique and pleasant taste to food and beverage products. Its distinct aroma profile makes it suitable for use in gourmet foods, beverages, and confectionery items.

Check Digit Verification of cas no

The CAS Registry Mumber 77-42-9 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 7 and 7 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 77-42:
(4*7)+(3*7)+(2*4)+(1*2)=59
59 % 10 = 9
So 77-42-9 is a valid CAS Registry Number.
InChI:InChI=1/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14-,15+/m1/s1

77-42-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name β-santalol

1.2 Other means of identification

Product number -
Other names 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, [1S-[1α,2α(Z),4α]]-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:77-42-9 SDS

77-42-9Relevant academic research and scientific papers

The synthesis of (Z)-trisubstituted allylic alcohols by the selective 1,4-hydrogenation of dienol esters: Improved synthesis of (-)-β-santalol

Fehr, Charles,Magpantay, Iris,Vuagnoux, Magali,Dupau, Philippe

experimental part, p. 1257 - 1260 (2011/04/16)

(E)-Trisubstituted allylic alcohols are commonly prepared from the corresponding (E)-enals, themselves readily accessible by a simple aldol condensation reaction. We demonstrate that these very same (E)-enals can be converted into (Z)-trisubstituted allylic acetates (and thus alcohols) by a ruthenium-catalyzed 1,4-hydrogenation of the corresponding dienol acetates. This simple solution to a long-lasting problem was applied to an industrially feasible synthesis of (-)-β-santalol.

Radical cyclizations leading to the bicyclo[2.2.1]heptane framework: A new radical approach to (±)-(Z)-β-santalol

Pianowski, Zbigniew,Rupnicki, Leszek,Cmoch, Piotr,Staliński, Krzysztof

, p. 900 - 904 (2007/10/03)

Tandem radical cyclizations of acyclic iodides, including [3-(2-iodoethyl)-6,10-dimethyl-undeca-5,9-dien-1-ynyl]-dimethylphenylsilane lead in good yields to bicyclo[2.2.1]heptane derivatives. The cascade relies on two sequential radical-mediated 5-exo-cyclizations. The radical approach is illustrated with the total synthesis of racemic-(Z)-β-santalol. The results are remarkable, two fused rings and one stereogenic center are formed in a single operation. A new 'coordinated' hydride appeared to be useful in the cascade.

Total Syntheses, Optical Rotations and Fragrance Properties of Sandalwood Constituents: (-)-(Z)- and (-)-(E)-β-Santalol and Their Enantiomers, ent-β-Santalene

Krotz, Achim,Helmchen, Guenter

, p. 601 - 610 (2007/10/02)

Enantiomerically pure 5-norbornene-2-carboxylic acids 4, obtained by asymmetric Diels-Alder additions, were oxidatively degraded to (+)- and (-)-2-norbornanone and (+)- and (-)-3-methyl-2-norbornanone which were converted into the title compounds by stereoselective alkylations, subsequent cis- and trans-selective Wittig reactions and reductions.Precise optical rotations were determined for (Z)- and (E)-β-santalol (1 and 2) and β-santalene (3a) which were obtained by total synthesis and, in addition, by isolation from East Indian sandalwood oil. - Key Words: Sandalwood oil / Fragrances / Stereoselective synthesis / β-Santalene, pure, isolation / Enantiomers, fragrance properties

Total Syntheses of Sandalwood Fragrances: (Z)- and (E)-β-Santalol and Their Enantiomers, ent-β-Santalene

Krotz, Achim,Helmchen, Guenter

, p. 537 - 540 (2007/10/02)

Via asymmetric Diels-Alder reactions, large scale preparations of enantiomerically pure norbornane-2-carboxylic acids were carried out.Oxidative degradation furnished 2-norbornanone and 3-methyl-2-norbornanone which gave the title compounds via stereoselective alkylations, subsequent Wittig reactions and reductions.

Cyclopropane Ring Cleavage in the α-Santal Series, I. - The Absolute Configurations of (-)-β-Santalol, (+)-epi-β-Santalol, and (E)-(-)-β-Santalol

Brunke, Ernst-Joachim,Boehme, Andreas,Struwe, Hartmut

, p. 1105 - 1110 (2007/10/02)

Cyclopropane cleavage of (+)-α-santalyl acetate (1b) by treatment firstly with HCl/CHCl3 at -50 deg C and secondly with basic alumina resulted in (-)-β-santalyl acetate (2b) and (+)-epi-β-santalyl acetate (3b).The identity with 2b, 3b, isolated from east indian sandalwood oil, was demonstrated by 1H-, 13C-NMR, and ORD spectra.This result defines the absolute configurations of the β-santalols 2a, 3a, and 4a.

Stereoselective Syntheses of (+/-)-epi-β-Santalene and (+/-)-epi-β-Santalol

Snowden, Roger L.,Sonnay, Philippe,Ohloff, Guenther

, p. 25 - 32 (2007/10/02)

Stereoselective syntheses of (+/-)-epi-β-santalene (1) and (+/-)-epi-β-santalol (2), minor constituents of East Indian sandalwood oil, are described.The starting material for both syntheses is the tricyclic hemiacetal 4, readily accessible in two steps from norbornene.

East Indian Sandalwood Oil. 2. Stereoselective Synthesis of (+/-)-Epi-β-santalene and (+/-)-Epi-β-santalol

Christenson, Philip A.,Willis, Brian J.

, p. 3068 - 3072 (2007/10/02)

Acid-catalyzed rearrangement of γ-lactone 6 in the presence of acetonitrile provides a mixture of amide acids, which are readily separated as their ethyl esters 18-20.The major product 18, when subjected to fragmentation, provides esters 21 and 22 (92percent and 8percent, respectively).The structure of 21 has been confirmed by its conversion, via aldehyde 23, to (+/-)-epi-β-santalene (8).Similarly, the structure of 22 has been confirmed by its conversion to (+/-)-α-santalene (3). (+/-)-Epi-cis-β-santalol (9), (+/-)-epi-trans-β-santalol (10), and (+/-)-dihydroepi-β-santalol (11) have also been prepared via aldehyd 23.

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