5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE

Modify Date: 2024-01-02 19:01:27

5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE Structure
5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE structure
Common Name 5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE
CAS Number 1121-97-7 Molecular Weight 132.15800
Density 1.052g/cm3 Boiling Point 198.1ºC at 760mmHg
Molecular Formula C6H12O3 Melting Point N/A
MSDS N/A Flash Point 90.4ºC

 Names

Name (5-methyl-1,3-dioxan-5-yl)methanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.052g/cm3
Boiling Point 198.1ºC at 760mmHg
Molecular Formula C6H12O3
Molecular Weight 132.15800
Flash Point 90.4ºC
Exact Mass 132.07900
PSA 38.69000
Vapour Pressure 0.0926mmHg at 25°C
Index of Refraction 1.4565-1.4585

 MSDS

Name: 5-Hydroxymethyl-5-methyl-1 3-dioxane 97% Material Safety Data Sheet
Synonym: m-Dioxane-5-methanol, 5-methyl-; 5-Methyl-1,3-dioxane-5-methanol
CAS: 1121-97-7
Section 1 - Chemical Product MSDS Name:5-Hydroxymethyl-5-methyl-1 3-dioxane 97% Material Safety Data Sheet
Synonym:m-Dioxane-5-methanol, 5-methyl-; 5-Methyl-1,3-dioxane-5-methanol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1121-97-7 5-Hydroxymethyl-5-methyl-1,3-dioxane 97 217-992-8
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. No information regarding eye irritation and other potential effects was found.
Skin:
May cause skin irritation. No information regarding skin irritation and other potential effects was found. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Storage under a nitrogen blanket has been recommended.

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# 1121-97-7: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: Viscous liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1203 g/cm3
Molecular Formula: C6H12O3
Molecular Weight: 132.16

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
On long term storage, substances with similar functional groups form explosive peroxides.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1121-97-7: JH1942500 LD50/LC50:
Not available.
Carcinogenicity:
5-Hydroxymethyl-5-methyl-1,3-dioxane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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.
WGK (Water Danger/Protection)
CAS# 1121-97-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1121-97-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1121-97-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH1942500
CHEMICAL NAME :
m-Dioxane-5-methanol, 5-methyl-
CAS REGISTRY NUMBER :
1121-97-7
BEILSTEIN REFERENCE NO. :
0104476
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H12-O3
MOLECULAR WEIGHT :
132.18
WISWESSER LINE NOTATION :
T6O COTJ E1Q E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04177

 Safety Information

Safety Phrases S24/25
HS Code 2932999099

 Synthetic Route

~87%

5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE Structure

5-HYDROXYMETHYL...

CAS#:1121-97-7

Literature: Williams, D.R.; Sakdarat, Santi Tetrahedron Letters, 1983 , vol. 24, # 37 p. 3965 - 3968

~84%

5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE Structure

5-HYDROXYMETHYL...

CAS#:1121-97-7

Literature: Gras, Jean-Louis; Nouguier, Robert; Mchich, Mohammed Tetrahedron Letters, 1987 , vol. 28, # 52 p. 6601 - 6604

~87%

5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE Structure

5-HYDROXYMETHYL...

CAS#:1121-97-7

Literature: Oparina; Vysotskaya; Parshina; Khil'ko; Gusarova Russian Journal of Organic Chemistry, 2008 , vol. 44, # 10 p. 1434 - 1437

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-Methyl-5-hydroxymethyl-1,3-dioxan
m-DIOXANE-5-METHANOL,5-METHYL
(5-methyl-1,3-dioxan-5-yl)methan-1-ol
5-methyl-5-hydroxymethyl-1,3-dioxane
5-methyl-1,3-dioxan-5-ylmethanol
5-Methyl-1,3-dioxane-5-methanol
EINECS 217-992-8
5-hydroxymethyl-5-methyl-1,3-dioxane