발레릭산페닐에틸에스테르

발레릭산페닐에틸에스테르 · Pentanoic acid, 2-phenylethyl ester · phenethyl valerate · PHENYLETHYL-VALERATE · Phenethyl pentanoate · 2-Phenethyl valerate · 2-PHENYLETHYLVALERATE · B-PHENYLETHYL VALERATE

https://huagongshe.com/ko/chemical/81964

식별자 및 물리적 특성

CAS No.	13756-20-2
분자식	C13H18O2
평균 분자량	206.28 g/mol
단동위원소 질량	206.13067982 g/mol
SMILES	CCCCC(=O)OCCc1ccccc1
InChIKey	PDGPIBIURNPBSE-UHFFFAOYSA-N
PubChem CID	81964
ChEBI	CHEBI:87323
EC No.	231-246-9
DTXSID	DTXSID9064712
현지명	발레릭산페닐에틸에스테르

화학 및 물리적 성질

XLogP	3.7
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	7
무거운 원자 수	15
형식 전하	0
복잡도	171
향료	Fragrance Ingredient (2-Phenylethyl valerate) -> IFRA transparency List
향미제	EU Flavoring substances
끓는 점	268.00 °C. @ 760.00 mm Hg268℃[at 101 325 Pa]
밀도	0.98[at 20℃]
증기압	0.398Pa at 25℃
냄새	100.00%에서. 과일향이 나는 장미 잎
향취 유형	꽃향기
용해도	14.26mg/L at 25℃
LogP(분배 계수)	4.04 at 25℃
EPA	Pentanoic acid, 2-phenylethyl ester (7460-74-4)

화학적 성질

Colorless liquid. B.P. 268℃. Sp.Gr. 0.98. Practically insoluble in water, soluble in alcohol and oils.

안전 및 규제

GHS 분류	Not Classified
규제 정보	Chemical: Pentanoic acid, 2-phenylethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Cease Manufacture Update: 24-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21108Pentanoic acid, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Pentanoic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and Categories	Not Classified
TSCA 등재 상태	TSCA listed

용도

Phenethyl valerate finds use in floral and floralherbaceous fragrance compositions, e.g. Narcisse and Jasmin, and as a modifier for the lower esters in other floral types, including Rose. It is a supporting material in "Tabac" notes with certain types of Oakmoss, Coumarin derivatives or Liatris absolute, iso-Butyl quinoline, etc.