기본 정보
- CAS
22457-23-4- 표준 SMILES
CCC(CC(C)CC)=NO- InChIKey
CBVWMGCJNPPAAR-UHFFFAOYSA-N- 분자식
- C8H17NO
- 평균 분자량
- 143.23 g/mol
- 단동위원소 질량
- 143.13101417
이름 및 식별자
- 우선 이름
- 3-Methyl-5-heptanone oxime
- IUPAC
- N-(5-methylheptan-3-ylidene)hydroxylamine
- 현지명
- 에틸메틸부틸케톡심
- 영어명
- 5-Methyl-3-heptanone oxime
- 분자식
- C8H17NO
- 분자량
- 143.23
이름 및 동의어
5-Methylheptan-3-one oximeStemone5-Methyl-3-heptanone oxime22457-23-43-Heptanone, 5-methyl-, oxime3-Methyl-5-heptanone oximeEthyl 2-methylbutyl ketoximeEthyl 2-methylbutyl ketoxineEINECS 245-010-8XHN6C9A7U3NSC 166310BRN 1923529
이름 더 보기
에틸메틸부틸케톡심5-메틸-3-헵타논옥심Stemon[R]leafy oximeStemone 90235015-Methylheptan-3-onoximMethyl-3-heptanoneoxime5-methyl-3-heptanonoxime3-Methyl-5-heptanoneoximeETHYL METHYLBUTYL KETOXIME
NSC-166310RefChem:503972N-(5-methylheptan-3-ylidene)hydroxylamineUNII-XHN6C9A7U35-methyl-heptan-3-one oximeSCHEMBL113135DTXSID9051874N-(5-Methyl-3-heptanylidene)hydroxylamine
데이터베이스 식별자
- CAS
22457-23-4- PubChem CID
- 90787
- DTXSID
DTXSID9051874- UNII
- XHN6C9A7U3
- EC Number
- 245-010-8
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 32.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (5-Methyl-3-heptanone oxime) -> IFRA transparency List
Physical DescriptionLiquid; CBI
물리화학적 성질
- 끓는 점
- 261.35 °C · 261.35°C (rough estimate)
- 밀도
- 0.9636 · 0.9636 (rough estimate)
- 증기압
- 5.32 Pa · 5.32Pa at 20℃
- 굴절률
- 1.4614 · 1.4614 (estimate)
- 산도 계수 (pKa)
- 12.42 · 12.42±0.10(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 갈바넘 무화과 잎 녹색 잡초 피질
- 냄새 유형
- 녹색
- 수용성
- 1.06 g/L · 1.06g/L at 20℃
- 화장품 원료 기능
- 향기향수
- InChI
- InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3
- InChIKey
- CBVWMGCJNPPAAR-UHFFFAOYSA-N
- SMILES
- CCC(=NO)CC(C)CC
- LogP
- 2.4 at · 2.4 at 30℃
- EPA
- 3 · 3-Heptanone, 5-methyl-, oxime (22457-23-4)
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 18.3% (302 of 1648) of reports.
Warning
H319 (78.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1648 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Heptanone, 5-methyl-, oxime
3-Heptanone, 5-methyl-, oxime is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Heptanone, 5-methyl-, oxime 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)
REACH registered substance: 5-methylheptan-3-one oxime (EC: 245-010-8)
3-Heptanone, 5-methyl-, oxime: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (78.3%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-24180
화학 및 산업
용도 및 제조
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 7 consumer products that contain Ethyl Methylbutyl Ketoxime in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Heptanone, 5-methyl-, oxime: ACTIVE
응용 분야
용도Stemone is a compound that has a leafy, green, fresh odour, and is commonly used in perfume formulations.
공급사51 곳
江西益众化工有限公司15307925109 15350027073 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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]
山东飞扬化工有限公司18954855616 · [email protected]
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