γ-Butyrolactone-d6

Modify Date: 2024-01-03 12:25:43

γ-Butyrolactone-d6 Structure
γ-Butyrolactone-d6 structure
Common Name γ-Butyrolactone-d6
CAS Number 77568-65-1 Molecular Weight 92.12620
Density 1.197 g/mL at 25ºC Boiling Point 204-205ºC(lit.)
Molecular Formula C4D6O2 Melting Point -45ºC(lit.)
MSDS Chinese USA Flash Point 208 °F
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Names

Name 3,3,4,4,5,5-hexadeuteriooxolan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.197 g/mL at 25ºC
Boiling Point 204-205ºC(lit.)
Melting Point -45ºC(lit.)
Molecular Formula C4D6O2
Molecular Weight 92.12620
Flash Point 208 °F
Exact Mass 92.07440
PSA 26.30000
LogP 0.32340
Index of Refraction n20/D 1.436(lit.)

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
: γ-Butyrolactone-d6
Product name
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 77568-65-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Serious eye damage (Category 1), H318
Specific target organ toxicity - single exposure (Category 3), H336
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn HarmfulR22, R41, R67
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
H302Harmful if swallowed.
H318Causes serious eye damage.
H336May cause drowsiness or dizziness.
Precautionary statement(s)
P261Avoid breathing vapours.
P280Wear protective gloves/ 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.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Formula: C4D6O2
Molecular Weight: 92,13 g/mol
CAS-No.: 77568-65-1
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
γ-Butyrolactone-d6
CAS-No.77568-65-1Acute Tox. 4; Eye Dam. 1;<= 100 %
STOT SE 3; H302, H318,
H336
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
γ-Butyrolactone-d6
CAS-No.77568-65-1Xn, R22 - R41 - R67<= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: 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
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.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: 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
no data available
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
For personal protection see section 8.
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.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
For precautions see section 2.2.
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. hygroscopic
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: 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
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
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).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: liquid, clear
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -45 °C - lit.
point
f) Initial boiling point and 204 - 205 °C - lit.
boiling range
g) Flash point98,00 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerUpper explosion limit: 16,00 %(V)
flammability orLower explosion limit: 1,40 %(V)
explosive limits
k) Vapour pressure2,0 hPa at 20,00 °C
l) Vapour densityno data available
m) Relative density1,197 g/mL at 25 °C1,197 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: -0,570
octanol/water
p) Auto-ignitionno 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

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong acids, Strong bases, Strong oxidizing agents, Strong reducing agents, Zinc, Plastics
Hazardous decomposition products
no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 1.540 mg/kg
Remarks: Behavioral:Altered sleep time (including change in righting reflex). Behavioral:Somnolence
(general depressed activity). Respiratory disorder
LC50 Inhalation - rat - 4,00 h - > 5.100 mg/m3
LD50 Dermal - guinea pig - > 5.000 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
This product is or contains a component that is not classifiable as to its carcinogenicity based on its IARC,
ACGIH, NTP, or EPA classification.
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
May cause drowsiness or dizziness.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
an anesthetic effect on the central nervous system characterized by a loss of sensation., Preliminary
excitement is the initial effect followed by relaxation, stupor, or sleep., Nausea, Dizziness, Headache

SECTION 12: Ecological information
Toxicity
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: 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
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox.Acute toxicity
Eye Dam.Serious eye damage
H302Harmful if swallowed.
H318Causes serious eye damage.
H336May cause drowsiness or dizziness.
STOT SESpecific target organ toxicity - single exposure
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R41 Risk of serious damage to eyes.
R67 Vapours may cause drowsiness and dizziness.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H318-H336
Precautionary Statements P261-P280-P305 + P351 + P338
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases 26-36
RIDADR NONH for all modes of transport

 Synthetic Route

~99%

γ-Butyrolactone-d6 Structure

γ-Butyrolactone-d6

CAS#:77568-65-1

Literature: Frediani, Piero; Rosi, Luca; Frediani, Marco; Bartolucci, Gianluca; Bambagiotti-Alberti, Massimo Journal of Agricultural and Food Chemistry, 2007 , vol. 55, # 10 p. 3877 - 3883

~63%

γ-Butyrolactone-d6 Structure

γ-Butyrolactone-d6

CAS#:77568-65-1

Literature: Von Seebach, Malte; Kozhushkov, Sergei I.; Schill, Heiko; Frank, Daniel; Boese, Roland; Benet-Buchholz, Jordi; Yufit, Dmitry S.; De Meijere, Armin Chemistry - A European Journal, 2007 , vol. 13, # 1 p. 167 - 177

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

|A-Butyryllactone-d6
1,4-Butanolide-d6
dihydro-2(3H)furanone-[3,3,4,4,5,5-D6]
Dihydro-2(3H)-furanone-d6
|A-Butyrolactone-d6
2-Oxotetrahydrofuran-d6
MFCD00190397
1-Oxacyclopentan-2-one-d6