(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

C20H33NO

CAS67564-91-4
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
67564-91-4
EC Number
266-719-9
UN Number
3082
Index Number
613-124-00-0
PubChem CID
93365

Physical-chemical properties

Molecular Formula
C20H33NO
Molar Mass
303.50 g/mol
IUPAC Name
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

Chemical Identifiers

InChI
InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
InChI Key
RYAUSSKQMZRMAI-ALOPSCKCSA-N

Overview

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine (CAS 67564-91-4) is a chiral morpholine derivative with significant structural complexity and specific stereochemical configuration. This specialized organic compound belongs to the morpholine family, characterized by its six-membered heterocyclic ring containing both nitrogen and oxygen atoms. The molecule features a distinctive (2S,6R) stereochemical arrangement with dimethyl substitutions on the morpholine ring, coupled with a branched alkyl chain bearing a tert-butylphenyl group. With a molecular formula of C20H33NO and molecular weight of 303.5 g/mol, this compound demonstrates considerable structural sophistication that influences its chemical behavior and industrial applications. The compound carries significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 2), acute toxicity (Acute Tox. 4), skin irritation (Skin Irrit. 2), and aquatic chronic toxicity (Aquatic Chronic 2). The associated GHS pictograms (GHS08, GHS07, GHS09) and warning signal indicate the need for careful handling protocols and appropriate safety measures during storage, transport, and use. Its ADR Class 9 classification places it among miscellaneous dangerous goods requiring specialized shipping procedures. Industrial applications typically leverage the compound's unique morpholine structure and stereochemical properties. Common uses include pharmaceutical intermediate synthesis, specialty chemical manufacturing, and advanced material development. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this morpholine derivative offers enhanced functionality through its heterocyclic structure and chiral centers. OYSI maintains reliable supply chains for this technical-grade morpholine derivative, supporting European industrial customers with consistent quality and regulatory compliance documentation.

Safety & Classification

Warning
Classification:

Repr. 2; Acute Tox. 4 *; Skin Irrit. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H315

Causes skin irritation.

H411

Toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFenpropimorph (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is a chiral morpholine derivative with the molecular formula C20H33NO and a molecular weight of 303.5 g/mol. This organic compound features a morpholine ring substituted with dimethyl groups and a complex alkylphenyl side chain containing a tert-butyl group. The CAS number 67564-91-4 uniquely identifies this stereoisomer, which exhibits specific optical activity due to its defined stereochemistry at positions 2S and 6R.

What are the physicochemical properties of (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is an organic compound with molecular formula C20H33NO and molecular weight 303.5 g/mol. As a substituted morpholine derivative containing both aromatic and aliphatic components, it likely exists as a liquid or low-melting solid at room temperature. The presence of the morpholine nitrogen atom suggests basic properties, while the bulky tert-butylphenyl group influences its solubility characteristics and physical behavior.

What is (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine used for?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine serves as an important chemical intermediate in pharmaceutical and fine chemical synthesis. Its morpholine structure and specific stereochemistry make it valuable for developing active pharmaceutical ingredients and specialty chemicals. The compound's unique molecular architecture allows it to function as a building block in medicinal chemistry applications, particularly where stereospecific activity is required. Industrial applications may include use as a synthetic precursor or catalyst component.

How to handle (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine safely?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine requires careful handling due to its Acute Tox. 4 and Skin Irrit. 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction to avoid inhalation. The substance carries GHS07 and GHS08 pictograms with a Warning signal word, indicating moderate but significant health hazards requiring appropriate safety measures.

How to store (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine properly?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Given its reproductive toxicity (Repr. 2) and skin irritation properties, storage areas must be clearly labeled and access restricted to trained personnel. Keep containers upright and protected from physical damage. Due to its Aquatic Chronic 2 classification, ensure secondary containment to prevent environmental release.

What to do in case of contact with (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?

Immediate action is required following contact with (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-6-dimethylmorpholine due to its skin irritant and toxic properties. For skin contact, immediately remove contaminated clothing and flush affected areas with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek medical attention. If inhaled, move to fresh air immediately. Given the Acute Tox. 4 classification, seek immediate medical advice for any significant exposure.

How to dispose of (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine appropriately?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine must be disposed of through licensed hazardous waste management companies in compliance with local and EU regulations. The substance's Aquatic Chronic 2 classification requires particular care to prevent environmental contamination. Waste should be collected in appropriate containers, clearly labeled, and never discharged to sewers or water bodies. Container disposal must also follow hazardous waste protocols. Consult local authorities for specific disposal requirements in your region.

How to transport (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and accompanying transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training. The Packing Group III designation indicates moderate danger during transport, but still requires compliance with dangerous goods regulations.

Is (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine subject to specific regulations?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is subject to EU CLP regulation due to its hazard classifications including Repr. 2, Acute Tox. 4, and Skin Irrit. 2. While not currently listed as an SVHC under REACH, it requires proper classification, labeling, and safety data sheets. The substance's reproductive toxicity classification may trigger additional workplace restrictions and handling requirements. Companies must ensure compliance with occupational exposure limits and provide appropriate worker protection measures.

Where to buy (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in Europe?

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to qualified industrial and research customers with proper documentation and regulatory compliance support. As a controlled substance requiring specialized handling, purchases are typically restricted to professional users with appropriate facilities and training. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application.

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(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.