기본 정보
- CAS
4110-44-5- 표준 SMILES
CCCCCC(C)(C)CC- InChIKey
DBULLUBYDONGLT-UHFFFAOYSA-N- 분자식
- C10H22
- 평균 분자량
- 142.28 g/mol
- 단동위원소 질량
- 142.1721507
개요
3,3-dimethyloctane is an alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups. It has a role as a plant metabolite and a bacterial metabolite. It is a volatile organic compound and an alkane.
이름 및 식별자
- 우선 이름
- 3,3-Dimethyloctane
- IUPAC
- 3,3-dimethyloctane
- 현지명
- 3,3-디메틸렌
- 영어명
- 3,3-Dimethyloctane
- 분자식
- C10H22
- 분자량
- 142.28
이름 및 동의어
3,3-Dimethyloctane4110-44-5Octane, 3,3-dimethyl-3,3-dimethyl-octaneCHEBI:143850DTXSID20194051RefChem:90820DTXCID30116542621-871-9DBULLUBYDONGLT-UHFFFAOYSA-NInChI=1/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4HMFCD00048874
이름 더 보기
3,3-디메틸렌NISTC41104453,3-Dimethyloctane >3,3-Dimethyloctane in isooctane
3,3-DIMETHYL OCTANESCHEMBL598125SCHEMBL625211SCHEMBL1973779SCHEMBL3895632SCHEMBL5357146SCHEMBL5984752SCHEMBL9858335
데이터베이스 식별자
- CAS
4110-44-5- PubChem CID
- 138117
- DTXSID
DTXSID20194051- ChEBI
CHEBI:143850- EC Number
- 621-871-9
- Nikkaji
- J196A
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 72.1
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
물리화학적 성질
- 녹는점
- -53.99 °C · -53.99°C
- 끓는 점
- 161 °C · 161°C
- 밀도
- 0 · 0,74 g/cm3
- 굴절률
- 1.414 · 1.4140-1.4160
- 인화점
- 161 °C · 161°C
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 85.34 ug/L · 85.34ug/L(온도는 명시되지 않음)
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, 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 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- ridadr
- 3295
- HS 번호
- 2901.10.3000
- risk_code
- 10-36/37/38
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 3
화학 및 산업
응용 분야
용도3,3-Dimethyloctane has been shown to be effective in the treatment of nematodes and rhizosphere soils. It can also be used as an insecticide. It has been shown to inhibit the growth of human alveolar cells and root tissues, but not platelet aggregation or exudates. The toxicity of 3,3-dimethyloctane is mediated through its inhibition of mitochondrial electron transport. This inhibition leads to cell death by apoptosis or necrosis.
상·하류 제품 정보
상류 원료
하류 제품
공급사32 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
추가 설명
정의ChEBI: 3,3-dimethyloctane is an alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups. It has a role as a bacterial metabolite and a plant metabolite. It is an alkane and a volatile organic compound.
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