5-Methylhexanoic acid

Modify Date: 2024-01-11 22:38:46

5-Methylhexanoic acid Structure
5-Methylhexanoic acid structure
Common Name 5-Methylhexanoic acid
CAS Number 628-46-6 Molecular Weight 130.18500
Density 0,91 g/cm3 Boiling Point 216°C
Molecular Formula C7H14O2 Melting Point N/A
MSDS N/A Flash Point >100°C

 Names

Name 5-methylhexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 0,91 g/cm3
Boiling Point 216°C
Molecular Formula C7H14O2
Molecular Weight 130.18500
Flash Point >100°C
Exact Mass 130.09900
PSA 37.30000
LogP 1.89730

 MSDS

5-Methylhexanoic Acid Revision number: 5
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:5-Methylhexanoic Acid

Revision number:5

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 1
Corrosive to metals
HEALTH HAZARDS
Category 1C
Skin corrosion/irritation
Serious eye damage/eye irritationCategory 1
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordDanger
Hazard statementsMay be corrosive to metals
Causes severe skin burns and eye damage
Precautionary statements:
[Prevention]Keep only in original container.
Do not breathe dust/fume/gas/mist/vapours/spray.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
Absorb spillage to prevent material damage.
[Storage]Store locked up.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.
5-Methylhexanoic Acid

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:5-Methylhexanoic Acid
Percent:>98.0%(T)(GC)
CAS Number:628-46-6
Chemical Formula:C7H14O2

Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section6. ACCIDENTAL RELEASE MEASURES
Use extra personal protective equipment (self-contained breathing apparatus). Keep
Personal precautions,
protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
will be generated.
Advice on safe handling:Avoid contact with skin, eyes and clothing.
Use corrosive resistant equipment.
Conditions for safe storage, including any
incompatibilities
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Comply with laws. Keep only in original container.
Packaging material:
5-Methylhexanoic Acid

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
air respirator, etc. Use respirators approved under appropriate government standards
and follow local and national regulations.
Hand protection:Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Liquid
Clear
Form:
Colour:Colorless - Slightly pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:216°C
Flash point:102°C
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:0.91
Solubility(ies):
[Water]No data available
[Other solvents]No data available

Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP =No data available
Reproductive toxicity:No data available
RTECS Number:MO8400900

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
5-Methylhexanoic Acid

Section12. ECOLOGICAL INFORMATION
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc):No data available
No data available
Henry's Law
constant(PaM3/mol):

Section13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

Section14. TRANSPORT INFORMATION
8: Corrosive.
Hazards Class:
UN-No:3265
Corrosive liquid, acidic, organic, n.o.s.
Proper shipping name:
Packing group:III

Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO8400900
CHEMICAL NAME :
Hexanoic acid, 5-methyl-
CAS REGISTRY NUMBER :
628-46-6
BEILSTEIN REFERENCE NO. :
1744722
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H14-O2
MOLECULAR WEIGHT :
130.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB91-141838

 Safety Information

Hazard Codes Xi
Risk Phrases 34
Safety Phrases S26-S36/37/39
RIDADR 3265
RTECS MO8400900
Packaging Group II
Hazard Class 8

 Synthetic Route

 Synonyms

isoheptanoic acid
isoenanthicacid
5-methyl-hexanoic acid
FEMA 3572
MFCD00036494
Isoamylaceric acid
5-methylhexylicacid
5-methyl-hexanoicaci
5-methyl-caproic acid
ISOAMYLACETIC ACID
dimethyl pentanoic acid
isoheptylic acid
i-heptanoic acid
iso-hexanoic acid
FEMA NUMBER 3572