C5-C9 카복실산

C5-C9카복실산 · C5-C9카복실산(C5-C9CARBOXYLICACIDS) · 카르복실산,C5-9 · Carboxylic acids, C5-9 · C5-C9 CARBOXYLIC ACIDS)

식별자 및 물리적 특성

CAS No.	142-62-1
분자식	C6H12O2
평균 분자량	116.16 g/mol
단동위원소 질량	116.08372962 g/mol
SMILES	CCCCCC(=O)O
InChIKey	FUZZWVXGSFPDMH-UHFFFAOYSA-N
PubChem CID	8892
ChEMBL	CHEMBL14184
ChEBI	CHEBI:30776
EC No.	205-550-7
DTXSID	DTXSID7021607
현지명	C5-C9 카복실산

화학 및 물리적 성질

XLogP	1.9
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	8
형식 전하	0
복잡도	68.9
물질 분류	Other Classes -> Organic AcidsCorrosives
지질	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
화장품	Cosmetic ingredients (Caproic Acid) -> CIR (Cosmetic Ingredient Review)Emulsifying
SpringerMaterials Properties	Boiling point
향료	Fragrance Ingredient (Hexanoic acid) -> IFRA transparency List
LogP(분배 계수)	log Kow = 1.921.881.87
냄새	Characteristic goat-like odor
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.927 (USCG, 1999) - Less dense than waterwill float0.929 at 20 °C/4 °CRelative density (water = 1): 0.930.923-0.9280.9295 @25 °C0.92[at 20℃]
향미제	EU Flavoring substances
Viscosity	3.23 mPa.s at 20 °C
Color/Form	Oily liquid
끓는 점	231℃[at 101 325 Pa]
증기압	0.62Pa at 25℃
용해도	1.35g/L at 20℃
LogP(분배 계수)	2.6 at 25℃
EPA	Carboxylic acids, C5-9 (68603-84-9)

안전 및 규제

유해성 요약
GHS 분류	This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2136) of reports.DangerH311 (17.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2136 reports by companies from 34 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified
규제 정보	Chemical: Hexanoic acidHexanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 12-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14271Hexanoic acid: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - Hexanoic acid: Environment tier I assessment
운송 라벨(DOT)	Corrosive
화재 위험	Special Hazards of Combustion Products: Irritating vapor may be generated. (USCG, 1999)· Combustible material: may burn but does not ignite readily.Combustible.
건강 유해성	Harmful if swallowed, inhaled, or absorbed through skin. Material is extremely destructive to tissue of mucous membranes and upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchia, chemical pneumonitis and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.