홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

P-옥틸옥시벤조 산

4-(Octyloxy)benzoic acid

HCID 17231
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2493-84-7
표준 SMILES
CCCCCCCCOc1ccc(C(=O)O)cc1
InChIKey
IALWCYFULVHLEC-UHFFFAOYSA-N
분자식
C15H22O3
평균 분자량
250.33 g/mol
단동위원소 질량
250.15689456

개요

P-n-octyloxybenzoic acid is a white powder. (NTP, 1992)

이름 및 식별자

우선 이름
4-(Octyloxy)benzoic acid
IUPAC
4-octoxybenzoic acid
현지명
P-옥틸옥시벤조 산
영어명
4-n-Octyloxybenzoic acid
분자식
C15H22O3
분자량
250.33

이름 및 동의어

2493-84-74-(Octyloxy)benzoic acid4-Octyloxybenzoic acid4-n-Octyloxybenzoic acidBenzoic acid, 4-(octyloxy)-p-(Octyloxy)benzoic acidp-Octoxybenzoic acidP-N-OCTYLOXYBENZOIC ACIDp-(n-Octyloxy)benzoic acidBenzoic acid, p-(octyloxy)-CCRIS 4690DTXSID1025807
이름 더 보기
P-옥틸옥시벤조산P-옥틸옥시벤조산4-N-옥틸옥시벤조산OOBATIMTEC-BB SBB008044RARECHEM AL BO 0490octyloxybenzoicacid4-octoxybenzoic acidLABOTEST-BB LT001144324-(octyloxy)-benzoicacip-n-octyloxybenzoicacid
04GD4OJ7FUoctyloxybenzoic acidNSC 142138NSC-142138DTXCID905807OCTYLOXYBENZOIC ACID, 4-P-(N-OCTOXY)BENZOIC ACIDRefChem:516529

데이터베이스 식별자

CAS
2493-84-7
PubChem CID
17231
DTXSID
DTXSID1025807
ChEMBL
CHEMBL1328156
ChEBI
CHEBI:170073
UNII
04GD4OJ7FU
EC Number
607-462-8
Nikkaji
J26.912C

물성

구조 계산 물성보충 중

XLogP
5
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
9
무거운 원자 수
18
형식 전하
0
복잡도
220

실험 및 물리화학적 성질

Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point226 °F (Turbid) (NTP, 1992)
Physical DescriptionP-n-octyloxybenzoic acid is a white powder. (NTP, 1992)

물리화학적 성질

녹는점
101 · 101-105 °C (lit.)
끓는 점
353.47 °C · 353.47°C (rough estimate)
밀도
1.0589 · 1.0589 (rough estimate)
굴절률
1.56 · 1.5600 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
almost transparency in hot Methanol
물리적 상태
powder to crystal
산도 계수 (pKa)
4.48 · 4.48±0.10(Predicted)
색상
흰색에서 거의 흰색

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1건

P-N-OCTYLOXYBENZOIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-(octyloxy)-: INACTIVE

응용 분야

용도Intermediate for the synthesis of liquid crystals including chiral ferroelectric benzoates. Used in the preparation of medicinal compounds.

일반 설명P-n-octyloxybenzoic acid is a white powder. (NTP, 1992)

제조 방법

Synthesis of 4-(Octyloxy)benzoic acid: 1-bromooctane was synthesised using n-octanol as raw material and 1-bromooctane was reacted with methyl p-hydroxybenzoate and then hydrolysed to obtain 4-(Octyloxy)benzoic acid.

상·하류 제품 정보

상류 원료

1-옥타놀브롬화옥틸메틸파라벤

관련 반응

54건
반응 기록 만들기
HRID 751 반응식
HRID 751반응물로uspto-grants-1998_03
HRID 21425 반응식
HRID 21425반응물로uspto-grants-1995_06
HRID 46414 반응식
HRID 46414반응물로uspto-grants-1979_11
HRID 194818 반응식
HRID 194818반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 210415 반응식
HRID 210415반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 247798 반응식
HRID 247798생성물로uspto-grants-1993_05
HRID 247799 반응식
HRID 247799반응물로uspto-grants-1993_05
HRID 248774 반응식
HRID 248774반응물로uspto-grants-1993_05
1 / 7 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
EPA
p-(Octyloxy)benzoic acid (2493-84-7)

화학적 성질

White to light yellow crystal powder

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29189990
safety_code
24/25
기존화학 물질
KE-26764