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9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
CAS No.:	58-46-8
Synonyms:	2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-; Ro 1-9569; TETRABENAZINE; Rubigen; Tetrabenazine,(3R,11bR)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one; Nitoman;
Formula:	C19H27NO3
Exact Mass:	317.19900
Molecular Weight:	317.42300
PSA:	38.77000
LogP:	3.17600

9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

CAS No.:

58-46-8

Synonyms:

2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-;
Ro 1-9569;
TETRABENAZINE;
Rubigen;
Tetrabenazine,(3R,11bR)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one;
Nitoman;

Formula:

C19H27NO3

Exact Mass:

317.19900

Molecular Weight:

317.42300

PSA:

38.77000

LogP:

3.17600

PropertiesFeedback
Appearance & Physical State:	white to off-white solid
Density:	1.12
Melting Point:	128-130ºC
Boiling Point:	448.9ºC at 760mmHg
Flash Point:	225.3ºC
Refractive Index:	1.554
Storage Condition:	2-8ºC

PropertiesFeedback

Appearance & Physical State:

white to off-white solid

Density:

1.12

Melting Point:

128-130ºC

Boiling Point:

448.9ºC at 760mmHg

Flash Point:

225.3ºC

Refractive Index:

1.554

Storage Condition:

2-8ºC

Safety InfoFeedback
Symbol:	GHS07
Sign:	Warning
hazard declaration:	H302
hazard declaration add:
waring notice:
Hazard Class:	6.1(b)
HS Code:	2933990090
Packing Group:	III
RIDADR:	UN 3249
Risk Statements:	R22
Hazard Codes:	Xn

Safety InfoFeedback

Symbol:

GHS07

Sign:

Warning

hazard declaration:

H302

hazard declaration add:

waring notice:

Hazard Class:

6.1(b)

HS Code:

2933990090

Packing Group:

III

RIDADR:

UN 3249

Risk Statements:

R22

Hazard Codes:

1.Identification

1.1GHS Product identifier

Product name	9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

1.2Other means of identification

Product number	-
Other names	2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-

1.3Recommended use of the chemical and restrictions on use

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

1.4Supplier's details

Company	XiXisys.com
Address	XiXisys.com
Telephone	XiXisys.com
Fax	XiXisys.com

1.5Emergency phone number

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

2.Hazard identification

2.1Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1Substances

Chemical name	Common names and synonyms	CAS number	EC number	Concentration
9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one	9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one	58-46-8	none	100%

4.First-aid measures

4.1Description 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.

4.2Most important symptoms/effects, acute and delayed

no data available

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

no data available

5.Fire-fighting measures

5.1Extinguishing media

Suitable extinguishing media

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

5.2Specific hazards arising from the chemical

no data available

5.3Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1Personal 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.

6.2Environmental precautions

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

6.3Methods 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

7.1Precautions 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.

7.2Conditions 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

8.1Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2Appropriate engineering controls

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

8.3Individual 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	white to off-white solid
Colour	no data available
Odour	no data available
Melting point/ freezing point	128-130ºC
Boiling point or initial boiling point and boiling range	448.9ºC at 760mmHg
Flammability	no data available
Lower and upper explosion limit / flammability limit	no data available
Flash point	225.3ºC
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	no data available
Density and/or relative density	1.12
Relative vapour density	no data available
Particle characteristics	no data available

10.Stability and reactivity

10.1Reactivity

no data available

10.2Chemical stability

Stable under recommended storage conditions.

10.3Possibility of hazardous reactions

no data available

10.4Conditions to avoid

no data available

10.5Incompatible materials

no data available

10.6Hazardous 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

Carcinogenicity

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

12.1Toxicity

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

12.2Persistence and degradability

no data available

12.3Bioaccumulative potential

no data available

12.4Mobility in soil

no data available

12.5Other adverse effects

no data available

13.Disposal considerations

13.1Disposal methods

Product

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

14.1UN Number

ADR/RID: Not dangerous goods.

IMDG: Not dangerous goods.

IATA: Not dangerous goods.

14.2UN Proper Shipping Name

ADR/RID: unknown

IMDG: unknown

IATA: unknown

14.3Transport hazard class(es)

ADR/RID: Not dangerous goods.

IMDG: Not dangerous goods.

IATA: Not dangerous goods.

14.4Packing group, if applicable

ADR/RID: Not dangerous goods.

IMDG: Not dangerous goods.

IATA: Not dangerous goods.

14.5Environmental hazards

ADR/RID: no

IMDG: no

IATA: no

14.6Special precautions for user

no data available

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

no data available

15.Regulatory information

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

Chemical name	Common names and synonyms	CAS number	EC number
9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one	9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one	58-46-8	none
European Inventory of Existing Commercial Chemical Substances (EINECS)			Listed.
EC Inventory			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.

Name:	9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one 58-46-8
CAS No:	58-46-8

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PRODUCT DESCRIPTION

9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

1.Identification

1.1GHS Product identifier

1.2Other means of identification

1.3Recommended use of the chemical and restrictions on use

1.4Supplier's details

1.5Emergency phone number

2.Hazard identification

2.1Classification of the substance or mixture

2.2GHS label elements, including precautionary statements

2.3Other hazards which do not result in classification

3.Composition/information on ingredients

3.1Substances

4.First-aid measures

4.1Description of necessary first-aid measures

General advice

If inhaled

In case of skin contact

In case of eye contact

If swallowed

4.2Most important symptoms/effects, acute and delayed

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

5.Fire-fighting measures

5.1Extinguishing media

Suitable extinguishing media

5.2Specific hazards arising from the chemical

5.3Special protective actions for fire-fighters

6.Accidental release measures

6.1Personal precautions, protective equipment and emergency procedures

6.2Environmental precautions

6.3Methods and materials for containment and cleaning up

7.Handling and storage

7.1Precautions for safe handling

7.2Conditions for safe storage, including any incompatibilities

8.Exposure controls/personal protection

8.1Control parameters

Occupational Exposure limit values

Biological limit values

8.2Appropriate engineering controls

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

Eye/face protection

Skin protection

Respiratory protection

Thermal hazards

9.Physical and chemical properties

10.Stability and reactivity

10.1Reactivity

10.2Chemical stability

10.3Possibility of hazardous reactions

10.4Conditions to avoid

10.5Incompatible materials

10.6Hazardous decomposition products

11.Toxicological information

Acute toxicity

Skin corrosion/irritation

Serious eye damage/irritation

Respiratory or skin sensitization

Germ cell mutagenicity

Carcinogenicity

Reproductive toxicity

STOT-single exposure

STOT-repeated exposure

Aspiration hazard

12.Ecological information

12.1Toxicity

12.2Persistence and degradability

12.3Bioaccumulative potential

12.4Mobility in soil

12.5Other adverse effects

13.Disposal considerations

13.1Disposal methods

Product

Contaminated packaging

14.Transport information