6-Hydroxyhexanoic Acid

6-HYDROXYHEXANOIC ACID · 6-hydroxyhexanoate · NSC 617319 · 6-Hydroxycaproic acid · 8-Hydroxyhexanoic acid · 6-Hydroxycaproic acid,95% · Hexanoic acid, 6-hydroxy- · epsilon-Hydroxycaproic acid

https://huagongshe.com/ko/chemical/14490

식별자 및 물리적 특성

CAS No.	1191-25-9
분자식	C6H12O3
평균 분자량	132.16 g/mol
단동위원소 질량	132.07864424 g/mol
SMILES	O=C(O)CCCCCO
InChIKey	IWHLYPDWHHPVAA-UHFFFAOYSA-N
PubChem CID	14490
ChEMBL	CHEMBL2006530
ChEBI	CHEBI:17869
EC No.	681-173-5
DTXSID	DTXSID00152316

화학 및 물리적 성질

XLogP	-0.4
극성 표면적	57.5
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	5
무거운 원자 수	9
형식 전하	0
복잡도	80
Physical Description	Solid
Kovats Retention Index	2540.1
녹는점	38-40 °C
끓는 점	113-116 °C
밀도	0.981
굴절률	1.44
인화점	>110°C
저장 조건	Sealed in dry,Store in freezer, under -20°C
물리적 상태	저융점 결정성 고체
pKa(산도 계수)	4.75±0.10(Predicted)
색상	하얀색
용해도	물에 용해됩니다.
InChI	InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
InChIKey	IWHLYPDWHHPVAA-UHFFFAOYSA-N
SMILES	C(O)(=O)CCCCCO
LogP(분배 계수)	-0.191 (est)

화학적 성질

white low melting crystalline solid

안전 및 규제

GHS 분류	DangerH228 (14.3%): Flammable solid [Danger Flammable solids]H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 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.
Hazard Classes and Categories	Skin Irrit. 2 (85.7%)Eye Irrit. 2 (85.7%)
운송 번호(UN)	UN 1760 8/PG 2
관세 코드	29181998
위험 문구(R)	34
위험 표시	C
안전 문구(S)	24/25-45-36/37/39-26-23

용도

6-Hydroxyhexanoic acid acts as a useful reagent in synthetic chemistry. It is used as a precursor to prepare surface active monomers.