2-phenylbutanoyl 2-phenylbutanoate

Modify Date: 2024-01-03 17:27:00

2-phenylbutanoyl 2-phenylbutanoate Structure
2-phenylbutanoyl 2-phenylbutanoate structure
Common Name 2-phenylbutanoyl 2-phenylbutanoate
CAS Number 1519-21-7 Molecular Weight 310.38700
Density 1.092g/cm3 Boiling Point 420.1ºC at 760mmHg
Molecular Formula C20H22O3 Melting Point N/A
MSDS USA Flash Point 191.1ºC
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name 2-phenylbutanoyl 2-phenylbutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.092g/cm3
Boiling Point 420.1ºC at 760mmHg
Molecular Formula C20H22O3
Molecular Weight 310.38700
Flash Point 191.1ºC
Exact Mass 310.15700
PSA 43.37000
LogP 4.44380
Vapour Pressure 2.89E-07mmHg at 25°C
Index of Refraction n20/D 1.531

 MSDS


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: 2-Phenylbutyric acid anhydride
CAS-No.: 1519-21-7


Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
Causes severe skin burns and eye damage.
Precautionary statement(s)
Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338IF IN EYES: 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.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34Causes burns.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39Wear suitable protective clothing, gloves and eye/face protection.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C20H22O3
Molecular Weight: 310,39 g/mol
ComponentConcentration
2-Phenylbutyric anhydride
CAS-No.1519-21-7-
EC-No.216-180-0

Section4. FIRST AID MEASURES
Description of 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
Take off contaminated clothing and shoes immediately. 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
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. Moisture sensitive.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin protection
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.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: clear, liquid
Colour: light yellow
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 132 °C at 0,1 hPa
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density1,072 g/mL at 20 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
IngestionMay be harmful if swallowed. Causes burns.
SkinMay be harmful if absorbed through skin. Causes skin burns.
EyesCauses eye burns.
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 3265IMDG: 3265IATA: 3265
UN proper shipping name
ADR/RID: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Phenylbutyric anhydride)
IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Phenylbutyric anhydride)
IATA:Corrosive liquid, acidic, organic, n.o.s. (2-Phenylbutyric anhydride)
Transport hazard class(es)
ADR/RID: 8IMDG: 8IATA: 8
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C: Corrosive;
Risk Phrases 34
Safety Phrases 26-36/37/39-45
RIDADR UN 3265 8/PG 3
HS Code 2916399090

 Synthetic Route

~80%

2-phenylbutanoyl 2-phenylbutanoate Structure

2-phenylbutanoy...

CAS#:1519-21-7

Literature: Plusquellec, Daniel; Roulleau, Fabienne; Lefeuvre, Martine; Brown, Eric Tetrahedron, 1988 , vol. 44, # 9 p. 2471 - 2476

~92%

2-phenylbutanoyl 2-phenylbutanoate Structure

2-phenylbutanoy...

CAS#:1519-21-7

Literature: Mazon, Angel; Najera, Carmen; Yus, Miguel; Heumann, Andreas Tetrahedron: Asymmetry, 1992 , vol. 3, # 11 p. 1455 - 1466

~%

2-phenylbutanoyl 2-phenylbutanoate Structure

2-phenylbutanoy...

CAS#:1519-21-7

Literature: Rappoport, Zvi; Lei, Yi Xiong; Yamataka, Hiroshi Helvetica Chimica Acta, 2001 , vol. 84, # 6 p. 1405 - 1431

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-Phenylbutyric anhydride
2-phenylbutanoic anhydride
2-Phenylbutyric acid anhydride
rac-2-phenylbutanoic acid anhydride
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