1,3,5-트리옥세인

1,3,5-Trioxane

HCID 8081CAS 110-88-3

기본 정보

표준 SMILES
C1OCOCO1
InChIKey
BGJSXRVXTHVRSN-UHFFFAOYSA-N
분자식
C3H6O3
평균 분자량
90.08 g/mol
단동위원소 질량
90.03169405

개요

Transparent crystals or white crystalline solid with a pleasant odor resembling the odor of chloroform. Melts at 62 °C; boils at 115 °C without polymerization. The cyclic trimer of formaldehyde.

이름 및 식별자

우선 이름
1,3,5-Trioxane
IUPAC
1,3,5-trioxane
현지명
1,3,5-트리옥세인
영어명
1,3,5-trioxane
분자식
C3H6O3
분자량
90.08

이름 및 동의어

1,3,5-TRIOXANEs-Trioxane110-88-3TrioxymethyleneTrioxaneMetaformaldehydeTriformolFormaldehyde, trimerTrioxansym-Trioxane1,3,5-TrioxacyclohexaneAldeform
이름 더 보기
1,3,5-트라이옥세인대칭구조-트리옥산메타포름알데히드트리옥산트리포름올1,3,5-트리옥산1,3,5-트리옥세인S-트리옥산트리옥시메틸렌1,3,5-트라이옥산트라이옥시메틸렌Paraformal
Marvosans-TrixaneTriossimetileneTrioxymethyleenTrioxymethylenTrioxin1,3,5-TrioxanDTXSID4021925

데이터베이스 식별자

CAS
110-88-3
PubChem CID
8081
DTXSID
DTXSID4021925
ChEMBL
CHEMBL1495792
ChEBI
CHEBI:38043
UNII
46BNU65YNY
EC Number
203-812-5
Nikkaji
J2.452J

물성

구조 계산 물성

XLogP
-0.4
극성 표면적
27.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesDunham energy parameter
Pesticides · 2건

Fungicides

Active substance -> EU Pesticides database: Not approved

OdorCHARACTERISTIC CHLOROFORM-LIKE ODOR
Density · 2건

1.17 at 149 °F (NTP, 1992) - Denser than water; will sink

1.17 @ 65 °C

Color/Form · 3건

CRYSTALLINE SOLID

RHOMBIC NEEDLES FROM ETHER

WHITE

물리화학적 성질

녹는점
59 · 59-62 °C(lit.)
끓는 점
112 · 112-115 °C
밀도
1.17 · 1.17
증기압
7.5 hPa · 7.5 hPa (20 °C)
굴절률
1.4168 · 1.4168 (estimate)
인화점
113 °F · 113 °F
화학적 성질 · 1건

Trioxane is a most unusual chemical. It is an excellent solvent for many classes of materials. Concentrated aqueous solutions of trioxane have solvent properties which are not possessed by trioxane itself. Molten trioxane dissolves numerous organic compounds, such as naphthalene, urea, camphor, dichlorobenzene, etc. It is stable in alkaline or neutral solutions, yet it is depolymerized to formaldehyde by small amounts of strong acid or acid-forming materials, and the rate of depolymerization can be readily controlled.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H228: Flammable solid [Danger Flammable solids]

P203, P210, P240, P241, P261, P271, P280, P304+P340, P318, P319, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P203, P210, P240, P241, P261, P271, P280, P304+P340, P318, P319, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 6건

Chemical: 1,3,5-Trioxane

Regulation (EC) No 1935/2004 (amended)

1,3,5-Trioxane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Trioxane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

2002/2076

Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15244

1,3,5-Trioxane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,3,5-Trioxane: Human health tier II assessment
DOT LabelFlammable Solid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Fire Potential · 2건

MODERATE FIRE RISK.

VOLATILE SOLID THAT GIVES OFF FLAMMABLE VAPOR OF FORMALDEHYDE WHEN HEATED. /PARAFORMALDEHYDE/

Health HazardsACUTE/CHRONIC HAZARDS: This compound is toxic and flammable. It can emit toxic fumes on contact with acid or acid fumes. (NTP, 1992)

안전 및 보호

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Fire Fighting Procedures · 3건

USE WATER SPRAY, CARBON DIOXIDE, DRY CHEM OR "ALCOHOL" FOAM. WATER SPRAY MAY BE USED TO FLUSH SPILLS AWAY FROM EXPOSURES. /PARAFORMALDEHYDE/

WATER SPRAY MAY BE USED TO EXTINGUISH THE FIRE BECAUSE MATERIAL CAN BE COOLED BELOW ITS FLASH POINT.

ALCOHOL FOAM.

Storage ConditionsSTORE IN COOL, DRY, WELL-VENTILATED PLACE AWAY FROM SOURCES OF HEAT & IGNITION. SEPARATE FROM COMBUSTIBLES, & ACIDIC, ALKALINE, & OXIDIZING MATERIALS. /PARAFORMALDEHYDE/
Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 2건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Incineration & landfill: Mix with a combustible solvent and incinerate using an afterburner or bury in an approved landfill.

독성 정보

Human Toxicity Excerpts · 5건

MALE & FEMALE 4TH YR DENTAL STUDENTS SHOWED HIGH INCIDENCE OF LATENT ALLERGIES, 65% COMPARED TO 13.6% FOR SAME STUDENTS @ END OF 2ND YR. ATTRIBUTED TO EXPOSURE TO ALLERGY-PRODUCING SUBSTANCES SUCH AS TRIOXYMETHYLENE.

SAME INTERNAL TOXICITY AS FORMALDEHYDE, WHICH IT SLOWLY RELEASES AT BODY TEMP.

SEE FORMALDEHYDE. SYMPTOMATOLOGY: A. INHALATION. 1. IRRITATION OF MUCOUS MEMBRANES, ESP OF EYES, NOSE & UPPER RESP TRACT. 2. WITH HIGHER CONCN, COUGH, DYSPHAGIA, BRONCHITIS, PNEUMONIA, EDEMA OR SPASM OF LARYNX. /FORMALDEHYDE/

SEE FORMALDEHYDE. SYMPTOMATOLOGY: B. INGESTION. 1. ...PAIN IN MOUTH, PHARYNX & STOMACH. 2. NAUSEA, VOMITING, HEMATEMESIS, ABDOMINAL PAIN, &...DIARRHEA (WHICH MAY BE BLOODY). 3. ...SHOCK. 4. DIFFICULT MICTURITION, HEMATURIA, ANURIA. 5. VERTIGO, CONVULSIONS...COMA. 6. DEATH DUE TO RESP FAILURE. /FORMALDEHYDE/

SEE FORMALDEHYDE. SYMPTOMATOLOGY: SKIN CONTACT. 1. IRRITATION & HARDENING OF SKIN. STRONG SOLN PRODUCE COAGULATION NECROSIS. 2. DERMATITIS & HYPERSENSITIVITY FROM PROLONGED EXPOSURE. /FORMALDEHYDE/

Probable Routes of Human ExposurePARAFORM INTRODUCES BOTH A DUST & A FORMALDEHYDE GAS EXPOSURE... /PARAFORM/
Antidote and Emergency Treatment · 3건

SEE FORMALDEHYDE. 1. ADMIN BY MOUTH 1 OR MORE OF FOLLOWING: WATER, MILK, 0.2% AMMONIA WATER...AMMONIUM ACETATE (3 TEASPOONSFUL IN WATER), EGG WHITES, ACTIVATED CHARCOAL. AMMONIUM SALTS ARE PROBABLY BEST BECAUSE THEY TRANSFORM FORMALDEHYDE INTO METHENAMINE... /FORMALDEHYDE/

SEE FORMALDEHYDE. 2. DEMULCENTS: MILK, EGGS, ALUMINUM HYDROXIDE GELS. 3. MORPHINE FOR CONTROL OF PAIN... 4. COMBAT SHOCK BY IV ADMIN OF ISOTONIC SALINE, PLASMA, OR WHOLE BLOOD... 5. TO CORRECT ACIDOSIS, GIVE SODIUM BICARBONATE OR M/6 SODIUM LACTATE SOLN IV... 6. ARTIFICIAL RESP, IF INDICATED... /FORMALDEHYDE/

SEE FORMALDEHYDE. 7. PENICILLIN OR OTHER ANTIBIOTIC IF INFECTION APPEARS... 8. WASH AFFECTED SKIN WITH LARGE QUANTITIES OF SOAP & WATER. LAB. URINALYSIS MAY REVEAL RED BLOOD CELLS (SOMETIMES GROSS HEMATURIA) & CASTS. /FORMALDEHYDE/

Toxicity DataLC50 (rat) > 10,463 ppm

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
YK0350000
ridadr
UN 1325 4.1/PG 2
독성
LD50 orally in Rabbit: 8190 mg/kg LD50 dermal Rabbit > 3980 mg/kg
HS 번호
2912 50 00

화학 및 산업

약리 정보

Metabolism/MetabolitesSAME INTERNAL TOXICITY AS FORMALDEHYDE, WHICH IT SLOWLY RELEASES AT BODY TEMP.

용도 및 제조

Uses · 3건

Used for organic synthesis, as a disinfectant, and in fuel; [Hawley]

Using Disinfectants or Biocides [Category: Clean]

ORG SYNTHESIS; DISINFECTANT; NONLUMINOUS, ODORLESS FUEL

U.S. Production2023: 150,000,000 - <500,000,000 lb
Consumer UsesIntermediate
Industry UsesMonomers
Methods of Manufacturing... BY DISTILLATION OF FORMALDEHYDE WITH AN ACID CATALYST, & EXTRACTION WITH SOLVENT.
General Manufacturing Information · 6건

Plastics Material and Resin Manufacturing

1,3,5-Trioxane: ACTIVE

SYM-TRIOXANE...A TRIMER OF FORMALDEHYDE; NOT TO BE CONFUSED WITH PARAFORMALDEHYDE...WHICH CONSISTS OF 8 OR MORE FORMALDEHYDE UNITS.

IN NON-AQ SYSTEMS, READILY CONVERTED TO MONOMERIC FORMALDEHYDE BY SMALL CONCN STRONG ACIDS @ RATE DETERMINED BY ACID CONCN.

SUBLIMABLE PERFUME COMPOUNDS CONTAIN TRIOXYMETHYLENE.

CYCLIC ETHERS SUCH AS SYM-TRIOXANE ARE USED TO PREVENT DECOMP OF HALOAMIDE ANTIMICROBIAL AGENTS, SUCH AS DBNPA.

응용 분야

용도1,3,5-Trioxane is used in organic chemical processes such as aldol condensation of amides and syntheses of chloromethyl esters or other plastics.

일반 설명Transparent crystals or white crystalline solid with a pleasant odor resembling the odor of chloroform. Melts at 62°C; boils at 115°C without polymerization. The cyclic trimer of formaldehyde.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

추가 설명

정의ChEBI: A saturated organic heteromonocyclic parent that is cyclohexane in which the carbon atoms at positions 1, 3 and 5 are replaced by oxygen atoms.

관련 반응

73건

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