Dicyclopentadiene dioxide (HCID 6673)

名称と識別子

優先名称: Dicyclopentadiene dioxide
IUPAC: 4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
現地名: 4,5:8,9-ジエポキシトリシクロ[5.2.1.02,6]デカン
英語名: Dicyclopentadiene diepoxide
分子式: C10H12O2
分子量: 164.2

名称と別名

Dicyclopentadiene diepoxideDICYCLOPENTADIENE DIOXIDEHSDB 5240Dicyclopentadiene dioxide (VAN)DTXSID4020452EINECS 201-334-11,2:5,6-Diepoxyhexahydro-4,7-methanoindanAI3-260462,4-Methano-2H-indeno(1,2-b:5,6-b')bisoxirene, octahydro-2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-Dicyclopentadiene dioxide, 70% exo isomers, 30% endo isomersDTXCID00452

名称をさらに表示

4,10-ジオキサペンタシクロ[6.3.1.02,7.03,5.09,11]ドデカンオクタヒドロ-2,4-メタノ-2H-インデノ[1,2-b:5,6-b']ビスオキシレン4,5:8,9-ジエポキシトリシクロ[5.2.1.02,6]デカン1,2:5,6-ジエポキシ-4,7-メタノヒドリンダンジシクロペンタジエンジエポキシドBICYCLOPENTADIENE DIEPOXIDE2,4-Methano-2H-indeno1,2-b:5,6-bbisoxirene, octahydro-ep207unox207unox207xepoxide207unoxepoxide207bicyclopentadienedioxideBicyelopentadiene dioxide

NSC-24262NSC-30544NSC-34460NSC-54738NSC-56357UNII-4UQK50194RRefChem:1332582,4-METHANO-2H-INDENO(1,2-B:5,6-B')BISOXIRENE, OCTAHYDRO-, (1A.ALPHA.,1B.BETA.,2.BETA.,2A.ALPHA.,3A.ALPHA.,4.BETA.,4A.BETA.,5A.ALPHA.)-

データベース識別子

CAS: 81-21-0
PubChem CID: 6673
DTXSID: DTXSID4020452
ChEMBL: CHEMBL3184982
EC Number: 201-334-1
Nikkaji: J192.584I

物性

構造計算による物性

XLogP: 0.8
極性表面積: 25.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 277

実験および物理化学的性質

PolymersPlastics & Rubber -> Epoxides

OdorMILD TERPENE LIKE ODOR MAY BE MASKED BY MORE POWERFUL & DISTINCTIVE HYDROCARBON ODOR OF DICYCLOPENTADIENE.

Density1.331 @ 25 °C

Color/FormWHITE CRYSTALLINE POWDER

Solubility · 5 件

SOL IN BENZENE

1.4% IN WATER

18.6% IN METHANOL

44.7% IN ACETONE

18.7% IN ETHER

Melting Point180-184 °C

物理化学的性質

融点: 185 · 185-189 °C(lit.)
沸点: 120 °C · 120°C 10mm
比重(密度): 1 · 1,331 g/cm3
屈折率: 1.546 · 1.5460 (estimate)
闪点: 120 °C/10mm · 120°C/10mm subl.
貯蔵温度: 2 · 2-8°C
外見: 結晶または結晶性粉末
色: ホワイト～イエローベージュ
水溶解度: 水に溶ける。
BRN: 112743 · 112743
InChI: InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
InChIKey: BQQUFAMSJAKLNB-UHFFFAOYSA-N
SMILES: O1C2CC3C(C12)C1CC3C2C1O2
CAS データベース: 81 · 81-21-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro- (81-21-0)

化学的性質

化学的特性white to yellow-beige crystals or

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-

2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMild irritant on rabbit skin; Methemoglobinemia, CNS effects, and proteinuria reported in inhalation studies of rats; [RTECS] Emergency treatment: irritants; [HSDB] An eye irritant; [MSDSonline]

TSCA RequirementsSection 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.

Hazard Classes and CategoriesAcute Tox. 3 (100%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Human Toxicity ExcerptsNo cases of dermatitis or sensitization have been reported /in man/.

Non-Human Toxicity Excerpts · 2 件

CMPD IS MODERATELY TOXIC FOLLOWING ORAL OR IP ENTRY INTO BODY & PRACTICALLY NONTOXIC ON PERCUTANEOUS ABSORPTION. ... THE LETHAL RANGE WHEN GIVEN ORALLY TO RATS AS 50 TO 140 MG/KG, AND 11 TO 53 MG/KG INTRAPERITONEALLY. ... RABBITS TOLERATED 1 G/KG PERCUTANEOUSLY WITHOUT EFFECT. IN INHALATION EXPERIMENTS A DOSE OF 1 G/CU M FOR 1 HR WAS MODERATELY TOXIC, AND 10 G/CU M FOR 1 HR WAS LETHAL TO 5 OF 6 TEST ANIMALS. SATURATED VAPORS WERE NONLETHAL TO RATS IN 8 HR EXPOSURE. ... MILDLY IRRITATING BUT NO CORNEAL INJURY IN RABBITS WITH TEST QUANT OF 0.05 G. 40% SOLN WAS LEAST CONCN TO CAUSE BARELY DETECTABLE INJURY. ... SKIN IRRITATION. UNDIL MATERIAL CAUSED REDNESS OF SHORT DURATION.

DICYCLOPENTADIENE DIOXIDE DID NOT SHOW ANY ALLERGENIC PROPERTIES WHEN APPLIED IN 10-50% SOLN TO SKIN OF GUINEA PIGS FOR 5-15 DAYS.

法規制情報

TSCA RequirementsSection 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: PB9625200
ridadr: UN 2811 6.1/PG 3
毒性: LD50 orl-rat: 210 mg/kg UCDS** 10/5/61
hs_code: 29109000
risk_code: 22-36
hazard_code: Xn
safety_code: 26
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
有毒物質データの: 81-21-0(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 5 件

Used as an intermediate for epoxy resins, plasticizers, and protective coatings; as a rubber additive; and for high temperature and high performance adhesives; [HSDB]

Working with Glues and Adhesives [Category: Other]

INTERMEDIATE FOR EPOXY RESINS, PLASTICIZERS, PROTECTIVE COATINGS

RUBBER ADDITIVE, EG, FOR CRACK PREVENTION & ADHESION

For high temp & high performance system, adhesives

U.S. Production · 2 件

(1979) PROBABLY GREATER THAN 2.72X10+6 G

(1980) PROBABLY GREATER THAN 2.72X10+6 G

Methods of ManufacturingPROBABLY BY DIELS-ALDER CONDENSATION OF CYCLOPENTADIENE FOLLOWED BY EPOXIDATION.

General Manufacturing Information · 2 件

2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-: ACTIVE

AVAIL IN EXPTL QUANT, THIS DIFUNCTIONAL EPOXIDE IS SUGGESTED FOR USE AS PRIMARY BUILDING BLOCK FOR EPOXY RESIN SYSTEM. IT HAS ALSO BEEN SUGGESTED IN MODIFICATION OF ALKYD RESINS, AS PLASTICIZER, & AS CHEMICAL INTERMEDIATE.

応用分野 · 1 件

使用Dicyclopentadiene diepoxide acts as an intermediate for epoxy resins, plasticizers and protective coatings. It finds application as a rubber additive and adhesives, which is used at high temperature. Further, it is used in the preparation of endo-3-hydroxy-exo-9-oxa-exo-tetracyclo[5.3.1.02,6.08,10]undecane using lithium aluminum hydride as a reagent.

サプライヤー50 社

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湖北万得化工有限公司15377098680 15377098680 · [email protected]

4,5:8,9-ジエポキシトリシクロ[5.2.1.02,6]デカン

基本情報