기본 정보
- 표준 SMILES
C1C2OC2C2C1C1CC2C2OC12- InChIKey
BQQUFAMSJAKLNB-UHFFFAOYSA-N- 분자식
- C10H12O2
- 평균 분자량
- 164.2 g/mol
- 단동위원소 질량
- 164.08372962
이름 및 식별자
- 우선 이름
- Dicyclopentadiene dioxide
- IUPAC
- 4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
- 영어명
- Dicyclopentadiene diepoxide
- 분자식
- C10H12O2
- 분자량
- 164.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
81-21-0- PubChem CID
- 6673
- DTXSID
DTXSID4020452- ChEMBL
CHEMBL3184982- EC Number
- 201-334-1
- Nikkaji
- J192.584I
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 25.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
Solubility
SOL IN BENZENE
1.4% IN WATER
18.6% IN METHANOL
44.7% IN ACETONE
18.7% IN ETHER
물리화학적 성질
- 녹는점
- 185 · 185-189 °C(lit.)
- 끓는 점
- 120 °C · 120°C 10mm
- 밀도
- 1 · 1,331 g/cm3
- 굴절률
- 1.546 · 1.5460 (estimate)
- 인화점
- 120 °C/10mm · 120°C/10mm subl.
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 결정 또는 결정성 분말
- 색상
- 흰색에서 노란색-베이지색
- 수용성
- 물에 용해됩니다.
- 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
- EPA
- 2 · 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro- (81-21-0)
화학적 성질
white to yellow-beige crystals or
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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.
독성 정보
Non-Human Toxicity Excerpts
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.
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PB9625200
- ridadr
- UN 2811 6.1/PG 3
- 독성
- LD50 orl-rat: 210 mg/kg UCDS** 10/5/61
- HS 번호
- 29109000
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- 스토리지 클래스
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- 유해 물질 데이터
- 81-21-0(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
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
(1979) PROBABLY GREATER THAN 2.72X10+6 G
(1980) PROBABLY GREATER THAN 2.72X10+6 G
General Manufacturing Information
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.
응용 분야
용도Dicyclopentadiene 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.
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