기본 정보
- CAS
7786-29-0- 표준 SMILES
CCCCCCC(C)C=O- InChIKey
ZKPFRIDJMMOODR-UHFFFAOYSA-N- 분자식
- C9H18O
- 평균 분자량
- 142.24 g/mol
- 단동위원소 질량
- 142.13576519
개요
2-Methyloctanal is a saturated fatty aldehyde and a 2-methyl-branched fatty aldehyde.
이름 및 식별자
- 우선 이름
- 2-Methyloctanal
- IUPAC
- 2-methyloctanal
- 현지명
- 2-메틸옥탄알
- 영어명
- 2-Methyl octanal
- 분자식
- C9H18O
- 분자량
- 142.24
이름 및 동의어
2-Methyloctanal2-Methyloctanaldehydealpha-MethyloctanalMethyl hexyl acetaldehydeOCTANAL, 2-METHYL-MethylhexylacetaldehydeFEMA No. 2727EINECS 232-093-0UNII-L193398KLNL193398KLN.ALPHA.-METHYLOCTANAL2-METHYLOCTANAL [FHFI]
이름 더 보기
2-메틸옥탄알2-메틸옥탄알(2-METHYLOCTANAL)2-메틸옥타날2-methyl-octana2-Methyloctanal?NewMETHYLHEXYLACETALDEHYD
DTXSID2052528RefChem:88351(+-)-2-METHYLOCTANALDTXCID3031101232-093-07786-29-02-METHYL OCTANALFEMA 2727
데이터베이스 식별자
- CAS
7786-29-0- PubChem CID
- 24583
- DTXSID
DTXSID2052528- ChEBI
CHEBI:179603- UNII
- L193398KLN
- EC Number
- 232-093-0
- Nikkaji
- J65.643G
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 78.8
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Methyloctanal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.841 (0 °C)
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol and most fixed oils; insoluble in water
(in ethanol)
Boiling Point
82.00 to 83.00 °C. @ 20.00 mm Hg
82-83 °C (20 mm Hg)
Refractive Index1.423 (14 °C)
Physical Descriptioncolourless, oily liquid with a rose, lily-like odour
물리화학적 성질
- 녹는점
- -18 °C · -18°C (estimate)
- 끓는 점
- 189.85 °C · 189.85°C (estimate)
- 밀도
- 0.841 · 0.8410
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1375) of reports.
Warning
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1375 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Octanal, 2-methyl-
Octanal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octanal, 2-methyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (99.2%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-24527
화학 및 산업
약리 정보
Cellular LocationsMembrane
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
General Manufacturing InformationOctanal, 2-methyl-: ACTIVE
응용 분야
개요2-Methyloctanal has a delicate, floral odor (rose- or lily-like). Prepared by heating methoxymethyl hexyl carbinol with oxalic acid or with anhydrous formic acid; also from hexanal and propionic aldehyde, Darzen’s synthesis of reacting methyl hexyl ketone and ethyl chloroacetate with sodium ethylate; the resulting ester is then hydrolyzed to the acid and this heated under vacuum.
용도In effect more versatile than Methyl nonyl acetaldehyde, 2-methyloctanal creates floral-diffusive topnotes in a Lily or Muguet, freshness in Mimosa or Rose, gives clean and airy topnotes to Citrus fragrances, etc. It finds some use in flavor compositions, mainly in Citrus types where it may partly or wholly substitute the conventional Nonanal. Concentration used is about 1 to 2 ppm in the finished product.
공급사20 곳
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