TRANS-CYCLOHEX-2-ENE-1,4-DIOL

Modify Date: 2024-01-03 22:44:32

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure
TRANS-CYCLOHEX-2-ENE-1,4-DIOL structure
Common Name TRANS-CYCLOHEX-2-ENE-1,4-DIOL
CAS Number 41513-32-0 Molecular Weight 114.14200
Density 1.217g/cm3 Boiling Point 242.8ºC at 760 mmHg
Molecular Formula C6H10O2 Melting Point 84-87ºC
MSDS N/A Flash Point 119.3ºC

 Names

Name trans-1,4-cyclohexenediol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.217g/cm3
Boiling Point 242.8ºC at 760 mmHg
Melting Point 84-87ºC
Molecular Formula C6H10O2
Molecular Weight 114.14200
Flash Point 119.3ºC
Exact Mass 114.06800
PSA 40.46000
LogP 0.05820
Index of Refraction 1.563

 MSDS

Name: Trans-1 4-Cyclohexenediol 99% Material Safety Data Sheet
Synonym: None Known
CAS: 41513-32-0
Section 1 - Chemical Product MSDS Name:Trans-1 4-Cyclohexenediol 99% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
41513-32-0 Trans-1,4-Cyclohexenediol 99% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 41513-32-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystals
Color: clear colorless to very faint yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 84.00 - 86.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H10O2
Molecular Weight: 114.14

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 41513-32-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trans-1,4-Cyclohexenediol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 41513-32-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 41513-32-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41513-32-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases S24/25
HS Code 2906199090

 Synthetic Route

~97%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Baeckvall, Jan-E.; Bystroem, Styrbjoern E.; Nordberg, Ruth E. Journal of Organic Chemistry, 1984 , vol. 49, # 24 p. 4619 - 4631

~1%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Ross, Angela M.; Pohl, Terese M.; Piazza, Kathryn; Thomas, Michael; Fox, Bonnie; Whalen, Dale L. Journal of the American Chemical Society, 1982 , vol. 104, # 6 p. 1658 - 1665

~%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Sanz, Xavier; Lee, Graham M.; Pubill-Ulldemolins, Cristina; Bonet, Amadeu; Gulyas, Henrik; Westcott, Stephen A.; Bo, Carles; Fernandez, Elena Organic and Biomolecular Chemistry, 2013 , vol. 11, # 40 p. 7004 - 7010

~%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Bell, Stephen G.; Spence, Justin T. J.; Liu, Shenglan; George, Jonathan H.; Wong, Luet-Lok Organic and Biomolecular Chemistry, 2014 , vol. 12, # 15 p. 2479 - 2488

~%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Bell, Stephen G.; Spence, Justin T. J.; Liu, Shenglan; George, Jonathan H.; Wong, Luet-Lok Organic and Biomolecular Chemistry, 2014 , vol. 12, # 15 p. 2479 - 2488

~%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Bedos; Ruyer Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1932 , vol. 195, p. 802 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1933 , vol. 196, p. 625

~%

TRANS-CYCLOHEX-2-ENE-1,4-DIOL Structure

TRANS-CYCLOHEX-...

CAS#:41513-32-0

Literature: Bedos; Ruyer Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1932 , vol. 195, p. 802 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1933 , vol. 196, p. 625

 Customs

HS Code 2906199090
Summary 2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Synonyms

(1SR,4SR)-cyclohex-2-ene-1,4-diol
trans-cyclohex-2-ene-1,4-diol
TRANS-2-CYCLOHEXENE-1,4-DIOL)
trans-1,4-dihydroxy-2-cyclohexene
(1S*,4S*)-cyclohex-2-ene-1,4-diol
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