3.3-디메틸-1-부텐
3,3-Dimethyl-1-butene
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기본 정보
- CAS
558-37-2- 표준 SMILES
C=CC(C)(C)C- InChIKey
PKXHXOTZMFCXSH-UHFFFAOYSA-N- 분자식
- C6H12
- 평균 분자량
- 84.16 g/mol
- 단동위원소 질량
- 84.09390038
이름 및 식별자
- 우선 이름
- 3,3-Dimethyl-1-butene
- IUPAC
- 3,3-dimethylbut-1-ene
- 현지명
- 3.3-디메틸-1-부텐
- 영어명
- 3,3-Dimethyl-1-butene
- 분자식
- C6H12
- 분자량
- 84.16
이름 및 동의어
3,3-DIMETHYL-1-BUTENE558-37-2Neohexene3,3-Dimethylbut-1-enetert-Butylethylene1-Butene, 3,3-dimethyl-tert-Butylethenetert-HexeneTrimethylvinylmethane3,3-Dimethylbutene2,2-Dimethyl-3-butene3,3-Dimethy-1-butene
이름 더 보기
3,3-다이메틸-1-뷰텐3,3-다이메틸-1-부텐3.3-디메틸-1-부텐3,3-다이메틸-1-부텐(3,3-DIMETHYL-1-BUTENE)3,3-디메틸-1-부텐(CH3)3CCH=CH23,3-DiMethylbut-1-en
UNII-01ZB73D2KKMFCD00008853NSC 7411901ZB73D2KKDTXSID1027211EINECS 209-195-93,3-Dimethyl-1-butene;NeohexeneNSC-74119
데이터베이스 식별자
- CAS
558-37-2- PubChem CID
- 11210
- DTXSID
DTXSID1027211- ChEMBL
CHEMBL3183368- UNII
- 01ZB73D2KK
- EC Number
- 209-195-9
- Nikkaji
- J38.822J
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 45.5
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure431.0 [mmHg]
Physical Description
Liquid
Colorless liquid; bp= 40-41 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -115 °C · -115 °C (lit.)
- 끓는 점
- 41 °C · 41 °C (lit.)
- 밀도
- 0.653 g/mL · 0.653 g/mL at 25 °C (lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 증기압
- 6.96 psi · 6.96 psi ( 20 °C)
- 굴절률
- 20 · n20/D 1.376(lit.)
- 인화점
- 20 °F · −20 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색의
- 폭발한계
- 1.2 % · 1.2%(V)
- 수용성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Butene, 3,3-dimethyl-
1-Butene, 3,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene, 3,3-dimethyl- 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)
3,3-Dimethyl-1-butene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Depression noted in rats 1 hour after receiving 5 gm/kg by oral gavage; Rats were prostrate, but no rats died during inhalation exposure to 51,000 ppm for 4 hours; No evidence of skin sensitization in guinea pigs and no evidence of reproductive or developmental toxicity; [EPA ChAMP: C6 Summaries] An irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 3-Methyl-1-butene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
화학 및 산업
용도 및 제조
UsesUsed as a chemical intermediate; [EPA ChAMP]
U.S. Production2023: 654,414 lb
Industry UsesFuel
General Manufacturing Information
Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)
1-Butene, 3,3-dimethyl-: ACTIVE
응용 분야
일반 설명3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. It undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst.
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하류 제품
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