Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 344830생성일: 2026년 10월 27일

6-벤조일헥사노산

6-벤조일헥사노산 · NSC 401949 · 6-Benzoylhexanoic acid · 6-Benzoylhexanoicacid,94% · BENZENEHEPTANOICACID,-OXO- · 7-Phenyl-7-oxoheptanoic acid · 7-OXO-7-PHENYLHEPTANOIC ACID · BENZENEHEPTANOIC ACID, Z-OXO-

https://huagongshe.com/ko/chemical/344830

식별자 및 물리적 특성

CAS No.	7472-43-7
분자식	C13H16O3
평균 분자량	220.26 g/mol
단동위원소 질량	220.10994437 g/mol
SMILES	O=C(O)CCCCCC(=O)c1ccccc1
InChIKey	DOQWHEUDAHLEPT-UHFFFAOYSA-N
PubChem CID	344830
EC No.	616-130-1
DTXSID	DTXSID00322739
현지명	6-벤조일헥사노산

화학 및 물리적 성질

XLogP	2.3
극성 표면적	54.4
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	7
무거운 원자 수	16
형식 전하	0
복잡도	229
녹는점	83-86°C
끓는 점	396.0±25.0 °C(Predicted)
밀도	1.111
pKa(산도 계수)	4.74±0.10(Predicted)
BRN	2694641

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 5 reports by companies from 2 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
위험 문구(R)	36/37/38
안전 문구(S)	26-36

CAS No.

7472-43-7

분자식

C13H16O3

평균 분자량

220.26 g/mol

단동위원소 질량

220.10994437 g/mol

SMILES

O=C(O)CCCCCC(=O)c1ccccc1

InChIKey

DOQWHEUDAHLEPT-UHFFFAOYSA-N

PubChem CID

344830

EC No.

616-130-1

DTXSID

DTXSID00322739

현지명

6-벤조일헥사노산

XLogP

2.3

극성 표면적

54.4

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

229

녹는점

83-86°C

끓는 점

396.0±25.0 °C(Predicted)

밀도

1.111

pKa(산도 계수)

4.74±0.10(Predicted)

BRN

2694641

안전 및 규제

GHS 분류

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 5 reports by companies from 2 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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

위험 문구(R)

36/37/38

안전 문구(S)

26-36