 Home > Encyclopedia > rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol

rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol

rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol structure

CAS No:
87172-89-2
Formula:
C10H18O2
Chemical Name:
rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol
Synonyms:
7-Oxabicyclo[2.2.1]heptan-2-ol,1-methyl-4-(1-methylethyl)-,(1R,2S,4S)-rel-;7-Oxabicyclo[2.2.1]heptan-2-ol,1-methyl-4-(1-methylethyl)-,exo-(±)-;rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol;7-Oxabicyclo[2.2.1]heptan-2-ol,1-methyl-4-(1-methylethyl)-,exo-;107133-87-9

Description

2-exo-hydroxy-1,4-cineole is a cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration). It has a role as a human xenobiotic metabolite and a rat metabolite.

rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol Basic Attributes

Molecular Weight：

170.25 g/mol

Exact Mass：

170.25

EC Number：

402-470-6

Characteristics

PSA：

29.5 Å²

Melting Point：

83-86 °C @ Solvent: Hexane

Safety Information

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P304+P340, P305+P351+P338, P310, P312, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 324 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:170.25
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:29.5
Heavy Atom Count:12
Complexity:202
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: chemical company of malaysia; dmds; formula of rubbing alcohol; formula for ammonia sulfate; cyclopentene; lacunar stroke

Guide of rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan-2-ol

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.