기본 정보
- CAS
10032-05-0- 표준 SMILES
CCCCCCC(OC)OC- InChIKey
BBMCNYFBAIUERL-UHFFFAOYSA-N- 분자식
- C9H20O2
- 평균 분자량
- 160.25 g/mol
- 단동위원소 질량
- 160.14632988
개요
1,1-Dimethoxyheptane is an acetal.
이름 및 식별자
- 우선 이름
- 1,1-Dimethoxyheptane
- IUPAC
- 1,1-dimethoxyheptane
- 영어명
- HEPTANAL DIMETHYL ACETAL
- 분자식
- C9H20O2
- 분자량
- 160.25
이름 및 동의어
1,1-Dimethoxyheptane10032-05-0Heptanal dimethyl acetalHeptane, 1,1-dimethoxy-FEMA No. 2541RMC47KWZ4JDTXSID0064919RefChem:783643DTXCID1032519233-103-6Enanthal dimethyl acetalOenanthal dimethyl acetal
이름 더 보기
FEMA 25411,1-dimethoxy-heptanHEPTANAL DIMETHYL ACETAL USP/EP/BP
Heptanal, dimethyl acetalHeptaldehyde dimethyl acetalAldehyde C-7 dimethyl acetal1,1-dimethoxy-heptanen-Heptanal dimethyl acetalEINECS 233-103-6UNII-RMC47KWZ4JAI3-36020
데이터베이스 식별자
- CAS
10032-05-0- PubChem CID
- 61453
- DTXSID
DTXSID0064919- ChEBI
CHEBI:178229- UNII
- RMC47KWZ4J
- EC Number
- 233-103-6
- Nikkaji
- J129.300A
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 70
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Heptanal dimethyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.844-0.849
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
81.00 °C. @ 30.00 mm Hg
164-165 °C; 60 °C (1 mm Hg)
Refractive Index1.405-1.415
Physical Descriptioncolourless oily liquid with a green, herbaceous, somewhat nutty odour
물리화학적 성질
- 끓는 점
- 183 °C760 · 183 °C760 mm Hg(lit.)
- 밀도
- 0.832 g/mL · 0.832 g/mL at 25 °C(lit.)
- FEMA
- 2541 · 2541 | HEPTANAL, DIMETHYL ACETAL
- 굴절률
- 20 · n20/D 1.4105(lit.)
- 인화점
- 136 °F · 136 °F
- 냄새
- 100 %에서 · 100.00%에서. 녹색 사유 과일 과일 열대 오렌지
- 냄새 유형
- 녹색
- JECFA Number
- 947 · 947
- BRN
- 1698661 · 1698661
- 화장품 원료 기능
- 향수
- LogP
- 2.74 · 2.74
- EPA
- 1 · Heptane, 1,1-dimethoxy- (10032-05-0)
화학적 성질
Heptanal dimethyl acetal has a pleasant odor reminiscent of walnut and cognac.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.
Warning
H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 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: Heptane, 1,1-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Heptane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Heptane, 1,1-dimethoxy-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (99.3%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 23-24/25
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-11066
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationHeptane, 1,1-dimethoxy-: ACTIVE
응용 분야
개요Heptanal dimethyl acetal has a pleasant odor reminiscent of walnut and cognac. This substance may be synthesized from heptyl aldehyde and HCL in methanol solution, from heptyl aldehyde and methanol in the presence of Twitchell’s reagent.
제조 방법
From heptyl aldehyde and HCl in methanol solution; from heptyl aldehyde and methanol in the presence of Twitchell’s reagent.
상·하류 제품 정보
상류 원료
하류 제품
공급사29 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
BOC Sciences[email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
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025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
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