8-Methylnonanoic acid (HCID 111470)

개요

8-methyl Nonanoic acid is a medium-chain fatty acid.

이름 및 식별자

우선 이름: 8-Methylnonanoic acid
IUPAC: 8-methylnonanoic acid
영어명: 8-METHYLNONANOIC ACID
분자식: C10H20O2
분자량: 172.26

이름 및 동의어

8-Methylnonanoic acid5963-14-4isocapric acid8-methyl-nonanoic acidNonanoic acid, 8-methyl-YL95S7AP4ZRefChem:1074762680-572-1Isodecanoic acid26403-17-8MFCD00044086UNII-LW5786QCKT

이름 더 보기

UNII:LW5786QCKT8-Methylpelargonic acid8-Methylnonanoic acid,97%8-METHYLNONANOIC ACID 97%

CEKANOIC ACIDLMFA01020247CEKANOIC C10 ACIDLW5786QCKTSCHEMBL633844DTXSID1067207AKOS016845711AT35562

데이터베이스 식별자

CAS: 26403-17-8、5963-14-4
PubChem CID: 111470
DTXSID: DTXSID1067207
ChEBI: CHEBI:176811
UNII: LW5786QCKT、YL95S7AP4Z
EC Number: 247-673-9、680-572-1
Nikkaji: J3.153.052K

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Physical DescriptionClear liquid; [ExxonMobil MSDS]

물리화학적 성질

녹는점: 15 · 15-19 °C
끓는 점: 118 · 118-120 °C (2 mmHg)
밀도: 0.9047 · 0.9047 (rough estimate)
굴절률: 1.433 · 1.433-1.435
저장 조건: 20 °C · −20°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: 무색~황색으로 투명함
InChI: InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey: OAOABCKPVCUNKO-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCC(C)C

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Isodecanoic acid

Isodecanoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn eye irritant that may cause injury on prolonged contact; High vapor concentrations cause eye and respiratory tract irritation; An aspiration hazard by ingestion (may cause lung injury); [ExxonMobil MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

HS 번호: 29159000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

화학 및 산업

용도 및 제조

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationIsodecanoic acid: ACTIVE

응용 분야 · 2건

개요Isodecanoic acid is produced by oxidizing the mixture of aldehydes obtained from tripropylene in the oxo process. It is used in drying agents, PVC stabilizers, and alkyd resins; the copper salt is a wood preservative. Isodecanoic acid may be replaced by versatic acid 10 or neodecanoic acid.

용도Intermediate for metal salts, ester type lubricants, plasticizers.