4165-62-2

4165-62-2 structure
4165-62-2 structure
  • Name: (2H5)Phenol
  • Chemical Name: 2,3,4,5,6-pentadeuteriophenol
  • CAS Number: 4165-62-2
  • Molecular Formula: C6HD5O
  • Molecular Weight: 99.142
  • Create Date: 2018-08-08 12:09:54
  • Modify Date: 2024-01-02 06:03:21

Name 2,3,4,5,6-pentadeuteriophenol
Synonyms Phenol-2,3,4,5,6-d5
Phenol-d
(H)Phenol
MFCD00084164
Density 1.1±0.1 g/cm3
Boiling Point 181.8±0.0 °C at 760 mmHg
Melting Point 40-42ºC(lit.)
Molecular Formula C6HD5O
Molecular Weight 99.142
Flash Point 79.4±0.0 °C
Exact Mass 99.073250
PSA 20.23000
LogP 1.48
Vapour Pressure 0.6±0.3 mmHg at 25°C
Index of Refraction 1.553

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Phenol-2,3,4,5,6-d5
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.: 4165-62-2
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
Germ cell mutagenicity (Category 2), H341
Acute toxicity, Inhalation (Category 3), H331
Acute toxicity, Dermal (Category 3), H311
Acute toxicity, Oral (Category 3), H301
Specific target organ toxicity - repeated exposure (Category 2), H373
Skin corrosion (Category 1B), H314
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
R68
T ToxicR23/24/25
C CorrosiveR34
Xn HarmfulR48/20/21/22
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)
H301Toxic if swallowed.
H311Toxic in contact with skin.
H314Causes severe skin burns and eye damage.
H331Toxic if inhaled.
H341Suspected of causing genetic defects.
H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Natural product
Formula: C6D5HO
Molecular Weight: 99,14 g/mol
CAS-No.: 4165-62-2
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
Phenol-2,3,4,5,6-d5
CAS-No.4165-62-2Acute Tox. 3; Skin Corr. 1B;<= 100 %
Index-No.604-001-00-2Muta. 2; STOT RE 2; H301 +
H311 + H331, H314, H341,
H373
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
Phenol-2,3,4,5,6-d5
CAS-No.4165-62-2T, Mut.Cat.3, R23/24/25 - R34 <= 100 %
Index-No.604-001-00-2- R48/20/21/22 - R68
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
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take
victim immediately to hospital. 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
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
Carbon oxides
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
Wear respiratory protection. 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.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. 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 formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
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.
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
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses 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.
Full contact
Material: butyl-rubber
Minimum layer thickness: 0,3 mm
Break through time: 480 min
Material tested:Butoject® (KCL 897 / Z677647, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,2 mm
Break through time: 30 min
Material tested:Dermatril® P (KCL 743 / Z677388, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
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 particle
respirator type N100 (US) or type P3 (EN 143) 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
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 40 - 42 °C
pointMelting point/range: 40 - 42 °C - lit.
f) Initial boiling point and 182 °C
boiling range182 °C - lit.
g) Flash point79 °C - closed cup
h) Evapouration 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 density1,127 g/mL at 25 °C1,127 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
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
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
In vitro tests showed mutagenic effects
Carcinogenicity
IARC:3 - Group 3: Not classifiable as to its carcinogenicity to humans (Phenol-2,3,4,5,6-d5)
Reproductive toxicity
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
May cause damage to organs through prolonged or repeated exposure.
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea, Vomiting, Circulatory collapse, tachypnea, paralysis, Convulsions, Coma., necrosis of
mouth and G.I. Tract, Jaundice, respiratory failure, cardiac arrest

SECTION 12: 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
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. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 1671IMDG: 1671IATA: 1671
UN proper shipping name
ADR/RID: PHENOL, SOLID
IMDG: PHENOL, SOLID
IATA:Phenol, solid
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

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Literature: Sawama, Yoshinari; Yamada, Tsuyoshi; Yabe, Yuki; Morita, Kosuke; Shibata, Kyoshiro; Shigetsura, Masahiro; Monguchi, Yasunari; Sajiki, Hironao Advanced Synthesis and Catalysis, 2013 , vol. 355, # 8 p. 1529 - 1534

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Literature: Mukumoto, Mamoru; Mashimo, Takuya; Tsuzuki, Hirohisa; Tsukinoki, Takehito; Uezu, Noriko; et al. Journal of Chemical Research, Synopses, 1995 , # 10 p. 412 - 413

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Literature: McCulla, Ryan D.; Jenks, William S. Journal of the American Chemical Society, 2004 , vol. 126, # 49 p. 16058 - 16065

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Literature: Keresztury, Gabor; Billes, Ferenc; Kubinyi, Miklos; Sundius, Tom Journal of Physical Chemistry A, 1998 , vol. 102, # 8 p. 1371 - 1380

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Literature: Schlosser, Manfred; Choi, Jung Hoon; Takagishi, Sadahito Tetrahedron, 1990 , vol. 46, # 16 p. 5633 - 5648

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Detail
Literature: Sol, Veronica M.; Louw, Robert; Mulder, Peter Recueil des Travaux Chimiques des Pays-Bas, 1990 , vol. 109, p. 346 - 352

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Literature: Phung; Burton Radiation Research, 1957 , vol. 7, p. 199,202