기본 정보
- 표준 SMILES
CC(C)CCCCCCO- InChIKey
QDTDKYHPHANITQ-UHFFFAOYSA-N- 분자식
- C9H20O
- 평균 분자량
- 144.25 g/mol
- 단동위원소 질량
- 144.15141526
개요
7-methyloctan-1-ol is a primary alcohol that is octane which is substituted by a methyl group at position 7 and a hydroxy group at position 1. It is a fragrance ingredient. It has a role as a fragrance.
이름 및 식별자
- 우선 이름
- Isononanol
- IUPAC
- 7-methyloctan-1-ol
- 영어명
- 7-METHYL-1-OCTANOL
- 분자식
- C9H20O
- 분자량
- 144.25
이름 및 동의어
Isononyl alcoholIsononanol27458-94-2KY36Z95MC2NEOFLEX 9EXXAL 9SEXXSOL 9EXXAL 9OXOCOL 900RefChem:923744DTXSID6029753248-471-3
이름 더 보기
7-methyl-1-octano7-Methyloctanol (Isononyl Alcohol)7-Methyl-1-octyl Alcohol (unlabelled)7-METHYL-1-OCTANOL ISO 9001：2015 REACH
7-methyloctan-1-ol2430-22-07-Methyloctanol7-METHYL-1-OCTANOL7-Methyl-octanol1-Octanol, 7-methyl-7-Methyl-1-octyl alcoholAlcohols, C8-10-iso-,C9-rich
데이터베이스 식별자
- CAS
2430-22-0、27458-94-2、68526-84-1- PubChem CID
- 17072
- DTXSID
DTXSID2058675- ChEBI
CHEBI:188348- UNII
- KY36Z95MC2
- EC Number
- 248-471-3
- Nikkaji
- J42.523K
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 59.7
실험 및 물리화학적 성질
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Isononyl alcohol (isomer unspecified)) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 64.5 °C · 64.5°C
- 끓는 점
- 192.9 °C · 192.9°C (estimate)
- 밀도
- 0.826 · 0.8260
- 굴절률
- 1.4316 · 1.4316
- 저장 조건
- Refrigerator
- 용해도
- 에 용해됨클로로포름, 메탄올 (약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 15.2 · 15.20±0.10(Predicted)
- 색상
- 무색
- Henry's Law Constant
- 4.3 · 4.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 3.23 · 3.230 (est)
- EPA
- 1 · 1-Octanol, 7-methyl- (2430-22-0)
화학적 성질
7-METHYL-1-OCTANOL is Colourless Oil
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (1 of 427) of reports.
Danger
H315 (77.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 427 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-Octanol, 7-methyl-
Chemical: Isononanol
Isononanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isononanol 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)
Status: Active Update: 15-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/13404
Isononanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (77.3%)
안전 데이터
- 기존화학 물질
- KE-24540
화학 및 산업
용도 및 제조
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
Use ClassificationFragrance Ingredients
General Manufacturing InformationAll Other Basic Inorganic Chemical Manufacturing
응용 분야
용도7-METHYL-1-OCTANOL is used in the synthesis of the sex pheromone of Elater ferrugineus.
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하류 제품
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