ChemicalBook--->CAS DataBase List--->5986-55-0

5986-55-0

5986-55-0 Structure

5986-55-0 Structure
IdentificationBack Directory
[Name]

Patchouli alcohol
[CAS]

5986-55-0
[Synonyms]

C09705
Patchoulol
Patchoulanol
Patchouli caMphor
PATCHOULI ALCOHOL
Patchoulic alcohol
Patchouli alcohol, >=98%
Patchouli alcohol USP/EP/BP
PATCHOULI ALCOHOL, 98+% HPLC
4beta,4aalpha,6beta,8aalpha)]-ph
tetramethyl-, (1R,4S,4aS,6R,8aS)-
1,6-Methanonaphthalen-1(2H)-ol,octahydro-4,8a,9,9-
(1S)-2β,5,5,8aα-Tetramethyl-1β,6β-methanodecalin-4aα-ol
Patchoulialcohol, 98%, from Pogostemon cablin( Blanco) Benth.
6-methanonaphthalen-1(2h)-ol,octahydro-4,8a,9,9-tetramethyl-[1theta-(1al
1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-
1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, [1R-(1α,4,4aα ,6,8aα)]-
(1R)-3,4,4aβ,5,6,7,8,8a-Octahydro-4α,8aβ,9,9-tetramethyl-1α,6α-methanonaphthalen-1β(2H)-ol
[1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol
1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1alpha,4beta,4aalpha,6beta,8aalpha)-
1,6-Methanonaphthalen-1beta(2H)-ol, 3,4,4abeta,5,6beta,7,8,8a-octahydro-4alpha,8abeta,9,9-tetramethyl-
1,6-Methanonaphthalen-1(2H)-ol,octahydro-4,8a,9,9-tetramethyl-,[1R-(1.alpha.,4.beta.,4a.alpha.,6.beta)]
1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, [1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-
[EINECS(EC#)]

227-807-2
[Molecular Formula]

C15H26O
[MDL Number]

MFCD00209526
[MOL File]

5986-55-0.mol
[Molecular Weight]

222.37
Chemical PropertiesBack Directory
[Melting point ]

56°; mp (racemate) 39-40° (Danishevsky, Dumas); mp 46-47° (Mirrington, Schmalzl)
[alpha ]

D20 -97.4° (c = 24 in chloroform)
[Boiling point ]

bp8 140°
[density ]

d420 1.0284
[vapor pressure ]

0.14Pa at 24℃
[refractive index ]

nD65 1.5029
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

15.23±0.70(Predicted)
[color ]

White to Off-White
[Odor]

at 100.00 %. patchouli earthy camphor powdery
[Odor Type]

woody
[Water Solubility ]

41.8mg/L at 24℃
[Henry's Law Constant]

1.3×101 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
[Major Application]

food and beverages
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11,12,14-,15/m0/s1
[InChIKey]

GGHMUJBZYLPWFD-DUNKBJDJSA-N
[SMILES]

CC1(C)[C@@H]2CC[C@]3(C)[C@@]1(O)CC[C@H](C)[C@@H]3C2
[LogP]

5.5 at 25℃
[NIST Chemistry Reference]

Patchouli alcohol(5986-55-0)
[EPA Substance Registry System]

1,6-Methanonaphthalen- 1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-(5986-55-0)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)Environment (GHS09)
GHS08,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H411-H304-H317
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[Safety Statements ]

24/25
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29061990
[Storage Class]

11 - Combustible Solids
Questions And AnswerBack Directory
[Description]

Herbal oils are of various types depending on herbs used to extract the oil. The most important bioactive constituents of plants are alkaloids, tannins, flavonoids, and phenolic compounds. Amongst popular oils, Patchouli oil extracted from Pogostemon cablin is known not just for its health benefits but also for its fragrance. Patchouli is a perennial herb and a fragrant plant that basically grows in the tropical region throughout the world. Though patchouli oil is known for its perfumery uses and there are other medicinal properties attached with patchouli oil. Patchouli oil’s growing demand can be understood as it can neither be replaced inorganically nor synthesized because of its complex molecular structure. Hence, the only alternative is to cultivate the plant extensively. The aim of the present paper is to review the importance of patchouli extractions in the treatment of diseases that may be useful for the applications of this medicinal plant in the treatment of diseases.
[Uses]

Patchouli alcohol is a fragrance ingredient used in decorative cosmetics, fine fragrances, shampoos, toilet soaps, non-cosmetic products such as household cleaners and detergents. Patchoulic alcohol is commonly used as an indicator for the quality assessment of dried P. cablin. It also used as daily dosage along with other herbs for treatment of asthma.
Hazard InformationBack Directory
[Chemical Properties]

Derived from the dried aerial parts of the Patchouli plant
[Definition]

ChEBI: A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.03,8]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7 stereo>S,8S-diastereoisomer).
[Flammability and Explosibility]

Notclassified
[in vivo]

Patchouli alcohol (5-20 mg/kg; oral administration; for 2 weeks) significantly protects the gastric mucosa from H. pylori-induced damage. Patchouli alcohol effectively attenuates oxidative stress by decreasing contents of intracellular ROS and MDA, and increasing levels of NP-SH, GSH/GSSG. Patchouli alcohol significantly attenuates the secretions of IL-1β, keratinocyte chemoattractant and IL-6[1].

Animal Model:Five- to six-week-old male C57BL/6 mice injected with H. pylori[1]
Dosage:5, 10, and 20 mg/kg
Administration:Oral administration; for 2 weeks
Result:Effectively attenuated oxidative stress by decreasing contents of intracellular reactive oxygen species (ROS) and MDA, and increasing levels of non-protein sulfhydryl (NP-SH), catalase and glutathione (GSH)/glutathione disulphide (GSSG).
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

Patchouli alcohol(5986-55-0)1HNMR
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