8-페닐옥탄산

8-Phenyloctanoic acid

HCID 520273CAS 26547-51-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CCCCCCCc1ccccc1
InChIKey: VZECIAZMSHBQOC-UHFFFAOYSA-N
분자식: C14H20O2
평균 분자량: 220.31 g/mol
단동위원소 질량: 220.14632988

이름 및 식별자

우선 이름: 8-Phenyloctanoic acid
IUPAC: 8-phenyloctanoic acid
현지명: 8-페닐옥탄산
영어명: 8-PHENYLOCTANOIC ACID
분자식: C14H20O2
분자량: 220.31

이름 및 동의어

8-Phenyloctanoic acid26547-51-3DTXSID30334300RefChem:107337DTXCID00285390670-943-6VZECIAZMSHBQOC-UHFFFAOYSA-NBenzeneoctanoic acidMFCD00037802omega-PHENYL OCTANOIC ACID8-phenyl octanoic acid8-phenyl-octanoic acid

이름 더 보기

8-페닐옥탄산8-phenyloctanoate

8-Phenyloctanoicacid,97%8-Phenyloctanoic acid 95%+SCHEMBL1008045SCHEMBL9129063RARECHEM AH CK 0157AKOS015840678AS-57321SY032391

데이터베이스 식별자

CAS: 26547-51-3
PubChem CID: 520273
DTXSID: DTXSID30334300
EC Number: 670-943-6
Nikkaji: J401.123F

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 16
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 27 °C · 27 °C
끓는 점: 150 °C · 150 °C
밀도: 1.02 · 1.020±0.06 g/cm3(Predicted)
굴절률: 1.502 · 1.5020
인화점: 150 · 150-152°C/0.1mm
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
수용성: 물에 불용성.
BRN: 2050336 · 2050336

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

안전 데이터

HS 번호: 2916399090
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도8-Phenyloctanoic acid is an n- phenylalkanoic acids which is an intermediate that support bacterial growth. Pseudomonas p utida disrupted in the gene that encodes the 3-ketoacyl-CoA thiolase (fadA), was cultured in a chemically defined medium containing 8-Phenyloctanoic acid as aromatic fatty acids.