Oleic Acid

9-Octadecenoic acid (Z)-, epoxidized, isooctyl ester

https://huagongshe.com/ja/chemical/445639

識別子と物理属性

CAS No.	112-80-1
分子式	C18H34O2
平均分子量	282.5 g/mol
単同位体質量	282.25588032 g/mol
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIKey	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
PubChem CID	445639
ChEMBL	CHEMBL8659
ChEBI	CHEBI:16196
EC No.	204-007-1
DTXSID	DTXSID1025809

化学・物理的性質

XLogP	6.5
極性表面積	37.3
水素結合供与体数	1
水素結合受容体数	2
回転可能結合数	15
重原子数	20
形式電荷	0
複雑度	234
LogP（分配係数）	log Kow = 7.647.73 (estimated)
臭い	PECULIAR LARD-LIKE ODOR
味	PECULIAR LARD-LIKE TASTE
密度	0.89 at 77 °F (USCG, 1999) - Less dense than waterwill float0.895 at 25 °C/25 °CYellowish, oily liquiddensity 0.87bp 205-206 °C (some decomposition). Insoluble in watermiscible with alcohol, ether /Ethyl ester/Relative density (water = 1): 0.890.892-0.898~0.895 @25 °C
Viscosity	25.6 cP at 30 °C
Color/Form	Colorless or nearly colorless liq (above 5-7 °C)YELLOWISH, OILY LIQUIDWATER-WHITE LIQUID
溶解度	Insoluble (NTP, 1992)Practically insol in watersol in chloroformetherfixed & volatile oilsalcoholbenzeneMiscible with ethanol, ether, acetone, benzene, chloroform, carbon tetrachlorideMiscible with methanolSolubility in water: noneinsoluble in watermiscible in alcohol, ether, fixed oils
引火点	372 °F (NTP, 1992)189 °C390-425 °F (open cup)372 °F (189 °C) (closed cup)189 °C c.c.
沸点	547 °F at 100 mmHg (NTP, 1992)360286 °C at 100 mm HgBoiling Point - Decomposes at 360 °C and 1 atm194-195 °C (1.2 mm Hg)
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
融点	61.3 °F (NTP, 1992)13.416.3 °C13.4 °C
蒸気圧	0.00000055 [mmHg]5.46X10-7 mm Hg at 25 °C1 [mm Hg] @176.5 °C

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 65.4% (1368 of 2091) of all reports.WarningH315 (31.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (22%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 2091 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1368 of 2091 reports by companies.There are 21 notifications provided by 723 of 2091 reports by companies with hazard statement code(s).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.
規制情報	Chemical: 9-Octadecenoic acid, (Z)-Council Directive (EEC) No 109/1989 (Repealed by Reg. EC No 1935/2004 (amended))9-Octadecenoic acid (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)- 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)2008/127, Reg. (EU) 2017/195, Reg. (EU) 2020/1160, Reg. (EU) 2024/1280, Reg. (EU) 2024/2221, Reg. (EU) No 540/2011Oleic acid: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - 9-Octadecenoic acid, (Z)-: Environment tier I assessmentIMAP assessments - 9-Octadecenoic acid, (Z)-: Human health tier I assessment
火災危険	This chemical is combustible. (NTP, 1992)
火災の可能性	CombustibleCombustible when exposed to heat or flame.
健康有害性	Industrial use of compound involves no known hazards. Ingestion causes mild irritation of mouth and stomach. Contact with eyes or skin causes mild irritation. (USCG, 1999)