2-Hexyldecanoic acid (HCID 32912)

개요

Hexyldecanoic acid is a medium-chain fatty acid.

이름 및 식별자

우선 이름: 2-Hexyldecanoic acid
IUPAC: 2-hexyldecanoic acid
현지명: 헥실데카논산
영어명: 2-Hexyldecanoic Acid
분자식: C16H32O2
분자량: 256.42

이름 및 동의어

2-Hexyldecanoic acid25354-97-6hexyldecanoic acidDECANOIC ACID, 2-HEXYL-Isocarb 1649M19XFI8BDTXSID7044893ISOCARB 16 ACIDJARIC I-162-H-DADTXCID5024893RefChem:909859

이름 더 보기

헥실데카논산헥실데카노익애씨드2-헥실데칸산ISOPALMITIC ACIDJARICTM I-16ISOPALMIC ACID2-HexyldecansureHexyldecanoicacidc16guerbetfattyacid2-hexyl-decanoicaci

246-885-92-Hexyldecansaeure7-Pentadecanecarboxylic acidPentadecane-7-carboxylic Acid2-hexyl-decanoic acid2-n-hexyldecanoic acid2-Hexyldecansaeure [German]EINECS 246-885-9

데이터베이스 식별자

CAS: 25354-97-6
PubChem CID: 32912
DTXSID: DTXSID7044893
ChEMBL: CHEMBL3182660
ChEBI: CHEBI:135056
UNII: 49M19XFI8B
EC Number: 246-885-9
Nikkaji: J47.573D

물성

구조 계산 물성

XLogP: 6.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 13
무거운 원자 수: 18
형식 전하: 0
복잡도: 190

실험 및 물리화학적 성질

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

CosmeticsCleansing; Surfactant; Emulsifying

SpringerMaterials PropertiesDensity

Collision Cross Section176.7 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7044893]

물리화학적 성질

녹는점: 10 °C · 10°C
끓는 점: 165 · 165-168°C 2mm
밀도: 0 · 0,88 g/cm3
증기압: 0 Pa · 0Pa at 20℃
굴절률: 1.446 · 1.4460
인화점: 174 °C · 174°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 4.9 · 4.90±0.40(Predicted)
색상: White or Colorless to Light yellow to Light orange
수용성: 70.83 μg/L · 70.83μg/L at 20℃
Merck: 14 · 14,4709
BRN: 1777217 · 1777217
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능: 계면활성제 - 세정계면활성제 - 유화제세척제
InChI: 1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey: JMOLZNNXZPAGBH-UHFFFAOYSA-N
SMILES: CCCCCCCCC(CCCCCC)C(O)=O
LogP: 6.21 at · 6.21 at 25℃
EPA: 2 · Decanoic acid, 2-hexyl- (25354-97-6)

화학적 성질

colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 498 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

REACH registered substance: 2-hexyldecanoic acid (EC: 246-885-9)

Decanoic acid, 2-hexyl-: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: HD9750000
HS 번호: 29159000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
기존화학 물질: KE-19909
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2Skin Sens. 1B
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Cleansing; Surfactant; Emulsifying

General Manufacturing InformationDecanoic acid, 2-hexyl-: ACTIVE

응용 분야

용도2-Hexyldecanoic Acid is used in preparation of cationic lipid; pharmaceutical compound and treatment agent containing lipid and siRNA for suppressing expression of hepatitis B virus gene.

일반 설명2-Hexyldecanoic acid is a carboxylic acid having branched carbon chains.

상·하류 제품 정보

상류 원료

하류 제품

나트륨2-헥실데카노에이트

공급사50 곳

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연결된 노트

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헥실데카논산

기본 정보

개요