87887-12-5

Basic information

• Product Name: 1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol
• Synonyms: 1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol;1-[(2,2,6-Trimethylcyclohexyl)oxy]-2-pentanol;Einecs 289-356-8
• CAS NO: 87887-12-5
• Molecular Formula: C14H28O2
• Molecular Weight: 228.37092
• EINECS: 289-356-8
• Mol File: 87887-12-5.mol

Chemical Properties

• Boiling Point: 267.1°C at 760 mmHg
• Flash Point: 82.8°C
• Appearance: /
• Density: 0.92g/cm³
• Vapor Pressure: 0.00113mmHg at 25°C
• Refractive Index: 1.463
• CAS DataBase Reference: 1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol(87887-12-5)
• EPA Substance Registry System: 1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol(87887-12-5)

Safety Data

• Hazardous Substances Data: 87887-12-5(Hazardous Substances Data)

Usage

Physical state

Clear, colorless liquid

Odor

Mild, floral

Uses

a. Fragrance ingredient in personal care and household products
b. Solvent and emulsifying agent in cosmetic formulations
c. Plasticizer in the manufacturing of plastics
d. Flavoring agent in food products

Safety

Generally regarded as safe, but should be handled and used with care, following all safety guidelines and regulations.

InChI:InChI=1/C14H28O2/c1-5-7-12(15)10-16-13-11(2)8-6-9-14(13,3)4/h11-13,15H,5-10H2,1-4H3

Upstream product

• 1003-14-1 2-pentyloxirane 
• 10130-91-3 cis-2,2,6-trimethylcyclohexanol 
• 2408-37-9 2,2,6-trimethylcyclohexan-1-one 
• 54345-59-4 2,6,6-Trimethyl-2-cyclohexen-1-ol 
• 10130-91-3 (+/-)-2,2,6t-trimethyl-cyclohexan-r-ol 
• 362044-44-8 (+)-(1R,6S)-2,2,6-trimethylcyclohexanol 
• 139406-51-2 (R)-2-propylethylene oxide 
• 123731-68-0 (S)-1,2-epoxypentane 
• 6155-96-0 (2R)-2-Chloropentanoic acid 
• 362044-40-4 (-)-(1S,6R)-2,2,6-trimethylcyclohexanol 
• 5343-92-0 1,2-pentanediol 
• 31720-69-1 1,2,2-trimethylcyclohexanol 
• 10130-91-3 2,2,6-trimethyl-cyclohexanol 
• 2013-12-9 D-norvaline 

Relevant articles and documents

USE OF COMPOUNDS AS SELF-TANNING SUBSTANCES AND TANNING COMPOSITIONS THEREOF

The invention relates to the use of a compound of formula (IIb), (IIa), (IIIa), (IV), (Ie), (If), (Ig), (Ic), or (Id), a racemate, a stereoisomer, a tautomer, a salt, and/or a solvate thereof, including mixtures thereof, as self-tanning substance, wherein the dash bond ..... represents an optional double bond; and wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R20, R21, R22, R23, R24, R25, R27, R28, R29, R40, R42, R43, R44, R45, R46, R47, R50, R51 are as defined in the claims. The invention also relates to a compound of formula (Ih), or a racemate, a stereoisomer, a tautomer, a salt, and/or a solvate thereof, including mixtures thereof; (Ih) wherein R5 is as defined in the claims. The invention also relates to self-tanning composition prepared using a compound as defined in the claims, as self-tanning substance. The invention also relates to the use of a compound or a composition as defined herein, for increasing the amount of melanin in melanocytes, for increasing melanin synthesis, for improving melanin transport and/or for improving the distribution of melanin in suprabasal layers, and/or for darkening skin and/or for sunless tanning.

Amber-woody scent: Alcohols with divergent structure present common olfactory characteristics and sharp enantiomer differentiation

Only one out of the four possible trans isomers of the important perfumery alcohol Norlimbanol (1) possesses a very strong amber-woody smell, the isomer 1A with (1′ R,3S,6'S) absolute configuration. Its enantiomer 1B is almost odorless and devoid of amber-woody character, whereas the diastereoisomers 1C and 1D are considerably weaker and perceptible only by the most-sensitive persons. The same is true for a whole series of perceptual analogs of 1, including β-alkoxy alcohols. These ethers belong to two structural classes: [(2,2,6-trimethylcyclohexyl)oxy]- (see 3, 4, and 16) or {[2-(tert-butyl)cyclohexyl]oxy)alkan-2-ol derivatives (see 19 and 20; Table). A superimposition model allowing for good overlap of the respective hydroxylated side chains offers a tentative explanation for the shared perceptual characteristics of the two classes (Fig. 5). The lipophilic cyclohexane moieties present only a minimal overlap in this model, suggesting that quite larger molecules might possess the same smell. (S)-Configured β-alkoxy alcohols can conveniently be obtained on a larger scale by enantioselective reduction of the corresponding ketones (Scheme 9).

Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients

The compounds of the formula wherein R1 and R2 represent, independently from each other, a hydrogen atom or a methyl group and R3 represents a linear or branched, saturated or unsaturated, lower alkyl radical, in the form of an optically active isomer of the formula wherein the wavy line indicates one or other of the two possible orientations of the OH group, and mixtures of these isomers can be used to impart fragrances of the woody and amber-scented type, devoid of any animal/perspiration characteristics, to consumer products.

Process for producing ether alcohols by hydrogenolysis of cyclic ketal

A process for the production of an ether alcohol is disclosed, which comprises subjecting a cyclic ketal to hydrogenolysis in the presence of a catalyst containing palladium in an amount of from 50 to 100% by weight, based on the total active catalytic co

Oxygenated alicyclic compounds

The compounds of formula wherein symbol R represents a C1 -C3 alkyl radical and X a substituted cyclohexyloxy group of formula STR1 wherein index n stands for zero or one, the dashed lines indicate a single bond (n=1) or a double bond in position 2 (n=0) or 3 (n=1) and each of symbols R1 to R6 designates a hydrogen atom or a methyl radical, are new and can be conveniently utilized as perfuming and flavoring ingredients. They develop in particular woody-ambery notes.

208. Diastereoselektivitaet der Geruchswahrnehmung von Alkoholen der Iononreihe

The characteristic odor of the diastereoisomers 1 and 2 of 1-(2,2,6-trimethylcyclohexyl)-3-hexanol is configuration dependent, the trans-alcohol 1 being identified as the sensorily active component.Structure modifications of model 1/2, for example substitution on C(2), C(13), and C(14) (ionon numbering) by CH3 groups, introduction of double bonds in the 3- or 4-position, and isosteric substitution of C(7) by an O-atom, leads to analogues revealing an unequivocal relation between stereochemistry and odor.The specific odor of alcohol 1 is generally released when all substituents are in an equatorial position; the resulting analogy with the molecular size and shape of odoriferous steroids suggests that the release of the particular scent can be correlated with a steroid-resembling receptor event.