CAS No. 115651-77-9

Formula: C17H29NO
Basic Info

Molecular Weight
Exact Mass

(+)-α-[1-(Dibutylamino)ethyl]benzyl Alcohol




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Boiling Point
373.6ºC at 760mmHg
Flash Point
Refractive Index
n20/D 1.501(lit.)
Vapor Pressure
0mmHg at 25°C
Safety Info
Safety Statements
S26; S36
Risk Statements
HS Code
Hazard Codes
SDS 1.0
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According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017


1.1 GHS Product identifier

Product name (+)-N,N-Dibutylnorephedrin

1.2 Other means of identification

Product number -
Other names (1R,2S)-2-(DibutylaMino)-1-phenyl-1-propanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.


P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
(+)-N,N-Dibutylnorephedrin (+)-N,N-Dibutylnorephedrin 115651-77-9 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state no data available
Colour no data available
Odour no data available
Melting point/ freezing point no data available
Boiling point or initial boiling point and boiling range 373.6ºC at 760mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 139.9ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0mmHg at 25°C
Density and/or relative density 0.952g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available


no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods


The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
(+)-N,N-Dibutylnorephedrin (+)-N,N-Dibutylnorephedrin 115651-77-9 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Not Listed.
EC Inventory Not Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%


  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
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Section I.Chemical Product and Company Identification
    Chemical Name
    Portland OR
    Chemical Formula
    C 17 H 29 NO
    CAS Number

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    (1R,2S)-(+)-alpha-[1-(N,N-Di-n-butylamino)ethyl]benzyl        115651-77-9        Min. 95.0        Not available.        Not available.    
    Alcohol        (GC,T)    

Section III.        Hazards Identification    
    Acute Health Effects
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system . Inflam m ation of
    the eye is characterized by redness, w atering, and itching. Skin inflam m ation is characterized by itching, scaling,
    reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and alw ays w ear proper protective
    equipment when handling this compound.
    Chronic Health Effects
    CARCINOGENIC EFFECTS : Not available.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    There is no know n effect from chronic exposure to this product.        Repeated or prolonged exposure to this com pound is    
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact
    C heck for and rem ove any contact lenses. D O N O T use an eye ointm ent. Flush eyes w ith running w ater for a m inim um
    of 15 m inutes, occasionally lifting the upper and low er eyelids. Seek m edical attention. Treat sym ptom atically and
    Skin Contact
    A fter contact w ith skin, w ash im m ediately w ith plen ty of w ater. G ently and thoroughly w ash the contam inated skin w ith
    running w ater and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. C over the
    irritated skin w ith an em ollient. Seek m edical attention. Treat sym ptom atically and supportively. W ash any
    contaminated clothing before reusing.
    If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or w aistband.
    If breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    IN D U C E V O M ITIN G by sticking finger in throat. Low er the head so that the vom it w ill not reenter the m outh and throat.
    Loosen tight clothing such as a collar, tie, belt, or w aistband. If the victim is not breathing, adm inister artificial
    respiration. Exam ine the lips and m outh to ascertain w hether the tissues are dam aged, a possible indication that the
    toxic m aterial w as ingested; the absence of such signs, how ever, is not conclusive. Seek im m ediate m edical attention
    and, if possible, show the chemical label. Treat symptomatically and supportively.

Section V.        Fire and Explosion Data    
    Flammability        Not available.    
    Flash Points        Flammable Limits    
    Not available.        Not available.    
    Combustion Products
    These products are toxic carbon oxides (CO, CO        2), nitrogen oxides (NO, NO        2 ).    
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO        2, water spray or foam.    
    and Instructions
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    Continued on Next Page
    115651-77-9nal)(U.S.).ompany Identificationthyl]benzyl Page 2

Section VI.        Accidental Release Measures    
    Spill Cleanup
    Irritating material.
    Instructions        K eep aw ay from heat and sources of ignition. M echanical exhaust required. Stop leak if w ithout risk. Finish cleaning    
    the spill by rinsing any contam inated surfaces w ith copious am ounts of w ater. C onsult federal, state, and/or local
    authorities for assistance on disposal.

Section VII.        Handling and Storage    
    Handling and Storage
    IRRITA N T. K eep aw ay from heat and sources of ignition. M echanical exhaust required. W hen not in use, tightly seal the
    container and store in a dry, cool place. A void excessive heat and light. D O N O T ingest. D o not breathe gas, fum es,
    vapor or spray. In case of insufficient ventilation, w ear suitable respiratory equipm ent. If ingested, seek m edical advice
    im m ediately and show the container or the label. Treat sym ptom atically and supportively. A void contact w ith skin and
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII.        Exposure Controls/Personal Protection    
    Engineering Controls
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection
    Splash goggles. Lab coat. V apor respirator. Boots. G loves. A M SH A /N IO SH approved respirator m ust be used to avoid
    inhalation of the product. Suggested protective clothing m ight not be sufficient; consult a specialist BEFO RE handling
    this product.
    Exposure Limits
    Not available.

Section IX.        Physical and Chemical Properties    
    Physical state @ 20°C        Solubility    
    Not available.
    Specific Gravity        0.94 (water=1)    
    Molecular Weight        Partition Coefficient    
    263.42        Not available.    
    Boiling Point        Vapor Pressure    
    143 to 145°C (289.4 to 293°F) @ 2mmHg        Not available.    
    Melting Point        Vapor Density    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Not available.        Not available.    
    Critical Temperature        Odor    
    Not available.        Not available.    
    Viscosity        Taste    
    Not available.        Not available.    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Conditions of Instability
    Avoid excessive heat and light.
    Reactive with oxidizing agents.

Section XI.        Toxicological Information    
    RTECS Number
    Not available.
    Routes of Exposure
    Eye contact. Inhalation. Ingestion. Skin contact.
    Toxicity Data
    Not available.
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    There is no know n effect from chronic exposure to this product.        Repeated or prolonged exposure to this com pound is    
    not known to aggravate existing medical conditions.
    Acute Toxic Effects
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system . Inflam m ation of
    the eye is characterized by redness, w atering, and itching. Skin inflam m ation is characterized by itching, scaling,
    reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and alw ays w ear proper protective
    equipment when handling this compound.
    Continued on Next Page
    (1R,2S)-(+)-alpha-[1-(N,N-Di-n-butylamino)ethyl]benzyl Page 3

Section XII.        Ecological Information    
    Not available.
    Environmental Fate
    Not available.

Section XIII.        Disposal Considerations    
    Waste Disposal
    Recycle to process, if possible. C onsult your local or regional authorities. You m ay be able to dissolve or m ix m aterial
    w ith a com bustible solvent and burn in a chem ical incinerator equipped w ith an afterburner and scrubber system .
    Observe all federal, state, and local regulations when disposing of this substance.

Section XIV.        Transport Information    
    DOT Classification
    Not a DOT controlled material (United States).
    PIN Number
    Not applicable.
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)
    Not applicable.
    DOT Pictograms

Section XV.        Other Regulatory Information and Pictograms    
    TSCA Chemical Inventory        T h is p r o d u c t is NOT o n t h e E P A T o x ic S u b s t a n c e s C o n t r o l A c t (T S C A ) in v e n t o r y . T h e f o llo w in g n o t ic e s a r e r e q u ir e d b y 4 0    
    (EPA)        CFR 720.36 (C) for those products not on the inventory list:    
    (i) These products are supplied solely for use in research and developm ent by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determ ined. A ny inform ation that is or becom es available w ill
    be supplied on an MSDS sheet.
    WHMIS Classification
    WHMIS CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
    EINECS Number (EEC)
    Not available.
    EEC Risk Statements
    R36/37/38- Irritating to eyes, respiratory system and skin.

NMR Spectrum 1H NMR : Predict
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Synthesis Route
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