5114-00-1 structure, C10H20O

2-(trans-4-Methylcyclohexyl)-2-propanol

CAS No.

5114-00-1

Formula:

C10H20O

Basic Info

Formula
C10H20O
Molecular Weight
156.265
Exact Mass
156.151
LogP
2.5836
PSA
20.23
Synonyms

1-METHOXY-2-HEXENE

trans-2-(4-Methylcyclohexyl)Isopropanol

2-Hexene,1-methoxy-,(E)

E-1-Methoxy-2-hexene

1-methoxy-hex-2t-ene

trans-p-menthan-8-ol

trans-Hex-2-enyl-methyl-aether

(E)-1-methyl-1-(4-methylcyclohexyl)ethanol

trans-4-methyl-1-(1-hydroxy-1-methylethyl)cyclohexane

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Properties

Density
0.899g/cm3
Boiling Point
87-89ºC9.5 mm Hg(lit.)
Melting Point
33-36ºC
Flash Point
89.7ºC
Refractive Index
1.459

Safety Info

Safety Statements
S26; S36
Risk Statements
R36/37/38
HS Code
2906199090
Caution Statement
P261; P305 + P351 + P338
Hazard Codes
Hazard Declaration
Caution Statement

MSDS

SDS 1.0
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MSDS
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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : trans-p-Menthan-8-ol    
    CAS-No.        : 5114-00-1    
  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 [EU-GHS/CLP]
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Irritating to eyes, respiratory system and skin.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36        Wear suitable protective clothing.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : trans-2-(4-Methylcyclohexyl)isopropanol    
    Formula        : C10H20O    
    Molecular Weight        : 156,27 g/mol    
    Component        Concentration    
  trans-α,α,4-Trimethylcyclohexanemethanol
    CAS-No.        5114-00-1        -    
    EC-No.        225-844-9    

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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  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
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    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.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.
  Specific end uses
    no data available

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
    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
    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
    impervious clothing, The type of protective equipment must be selected according to the
    concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: crystalline    
    Colour: white
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 33 - 36 °C    
    point
    f) Initial boiling point and 87 - 89 °C at 12,7 hPa
    boiling range
    g) Flash point        79,00 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. 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
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. 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
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. Causes skin irritation.    
  Eyes        Causes serious eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: Not available

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
    no data available
  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. Contact a licensed
    professional waste disposal service to dispose of this material. 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: -        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: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Kovats' RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1165.
Temperature Control
Method
temperature ramp
Comments
50. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T<sub>end</sub>: 250. C
Reference
Tzakou, O.Harvala, C.Galati, E.M.Sanogo, R.Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolicaFlavour Fragr. J.2000, 15, 2, 115-118.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1160.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 3. min
Reference
Dob, T.Dahmane, D.Agli, M.Chelghoum, C.Essential oil composition of Lavandula stoechas from AlgeriaPharm. Biol.2006, 44, 1, 60-64.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
CBP-5
Retention index
1164.
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: 60C =&gt; 3C/min =&gt; 240C =&gt; 10C/min =&gt; 280C(10min)
Reference
Oliveira, M.J.Campos, I.F.P.Oliveira, C.B.A.Santos, M.R.Souza, P.S.Santos, S.C.Seraphin, J.C.Ferri, P.H.Influence of growth phase on the essential oil composition of Hyptis suaveolensBiochem. Syst. Ecol.2005, 33, 3, 275-285.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
CBP-5
Retention index
1161.
Temperature Control
Method
custom temperature program
Comments
50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) =&gt; 3C/min =&gt; 240C =&gt; 10C/min =&gt; 280C(10min)
Reference
Azevedo, N.R.Campos, I.F.P.Ferreira, H.D.Portes, T.A.Seraphin, J.C.de Paula, J.R.Santos, S.C.Ferri, P.H.Essential oil chemotypes in Hyptis suaveolens from Brazilian CerradoBiochem. Syst. Ecol.2002, 30, 3, 205-216.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
1158.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 4. K/min; T<sub>start</sub>: 60. C; T<sub>end</sub>: 280. C
Reference
Sajjadi, S.E.Analysis of the essential oil of Nepeta sintenisii Bornm. from IranDARU2005, 13, 2, 61-64.

Synthesis Route

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