4-메틸옥탄 산

4-Methyloctanoic acid

HCID 62089CAS 54947-74-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCC(C)CCC(=O)O
InChIKey
LEGGANXCVQPIAI-UHFFFAOYSA-N
분자식
C9H18O2
평균 분자량
158.24 g/mol
단동위원소 질량
158.13067982

개요

4-methyl-octanoic acid is a medium-chain fatty acid.

이름 및 식별자

우선 이름
4-Methyloctanoic acid
IUPAC
4-methyloctanoic acid
현지명
4-메틸옥탄 산
영어명
4-Methyloctanoic acid
분자식
C9H18O2
분자량
158.24

이름 및 동의어

4-Methyloctanoic acid54947-74-9Octanoic acid, 4-methyl-4-Methylcaprylic acid4-methyl-octanoic acidFEMA No. 35755545264N9RDTXSID70866453RefChem:99908DTXCID50814735259-404-24-Methyl-n-octanoic Acid
이름 더 보기
4-메틸옥탄산4-메틸옥탄산(4-METHYLOCTANOICACID)(±)-4-Methyloctanoic acid(-)-RosiridinFEMA NUMBER 35754-methyl-octanoicaciMETHYLOCTANSAEURE, 4-
HIRCINOIC ACID4-methyl octanoic acidMFCD00051938(+/-)-4-Methyloctanoic acidl-4-Methyloctanoic acid(4S)-4-methyloctanoateFEMA 35754-Methyloctanoic Acid; 4-Methylcaprylic Acid;

데이터베이스 식별자

CAS
54947-74-9
PubChem CID
62089
DTXSID
DTXSID70866453
ChEBI
CHEBI:179879
UNII
5545264N9R
EC Number
259-404-2
Nikkaji
J267.356H

물성

구조 계산 물성

XLogP
3
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
11

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (4-Methyloctanoic acid) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.900-0.908 (20 °C/20 °C)
Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
-29.5 °C · -29.5°C (estimate)
끓는 점
149 °C22 · 149 °C22 mm Hg(lit.)
밀도
0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.433(lit.)
FEMA
3575 · 3575 | 4-METHYLOCTANOIC ACID
인화점
230 °F · >230 °F

화학적 성질

4-Methyloctanoic acid has a fatty, musty, plastic odor. This compound is also reported to have a goat, costus, mutton odor

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1470) of reports.

Danger

H314 (99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1470 reports by companies from 7 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Octanoic acid, 4-methyl-

Regulation (EC) No 1831/2003 (amended)

Octanoic acid, 4-methyl-: 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 Corr. 1A (99.9%)

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 3265 8/PG 3
HS 번호
2915 90 70
risk_code
34-36/37/38-21/22
hazard_code
C,Xi,Xn

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationOctanoic acid, 4-methyl-: ACTIVE
응용 분야 · 3건

개요4-Methyloctanoic acid, also known as Hircinoic Acid, presents as a colorless to pale-yellow oil. It is slightly soluble in chloroform, DMSO and ethyl acetate. Store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. This substance is stable under recommended storage conditions. 4-Methyloctanoic Acid is incompatible with strong oxidizing agents as well as strong bases. This chemical causes severe skin burns and eye damage.

출처Reported found in cooked mutton fat, raw and cooked mutton, lamb, and blue, cheddar, parmesan, provolone and romano cheeses

일반 설명4-Methyloctanoic acid is a branched fatty acid commonly used in the flavor and fragrance industries. This compound gives sweaty and goaty flavors to the mutton meat and goat′s milk cheese, respectively.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]
济南远泽生物科技有限公司15063396929; 15063396929

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