1-Tridecanol

識別子と物理属性

CAS No.	112-70-9
分子式	C13H28O
平均分子量	200.36 g/mol
単同位体質量	200.21401551 g/mol
SMILES	CCCCCCCCCCCCCO
InChIKey	XFRVVPUIAFSTFO-UHFFFAOYSA-N
PubChem CID	8207
ChEMBL	CHEMBL24832
ChEBI	CHEBI:34123
EC No.	203-998-8
DTXSID	DTXSID2021947

化学・物理的性質

XLogP	5.7
極性表面積	20.2
水素結合供与体数	1
水素結合受容体数	1
回転可能結合数	11
重原子数	14
形式電荷	0
複雑度	91
LogP（分配係数）	log Kow = 5.828.52
臭い	PLEASANT ODOR心地よい匂い
密度	0.846 at 68 °F (USCG, 1999) - Less dense than waterwill floatVAPOR DENSITY: 6.9 (AIR= 1) /COMMERCIAL MIXTURE/0.8223 at 31 °C/4 °CRelative density (water = 1): 0.80.8223 g/cm3(Temp: 31 °C)
Color/Form	WATER WHITE LIQCrystals from alcohol
溶解度	INSOL IN WATERSOL IN ALCOHOL & IN ETHER /1-TRIDECANOL/Sol in ethanol, etherSolubility in water, g/100ml at 20 °C: 0.01 (very poor)
引火点	250 °F (USCG, 1999)121 °C250 °F (121 °C) (Open cup)121 °C o.c. (mixed isomers)250°F (COC)
沸点	525 °F at 760 mmHg (USCG, 1999)152 °C at 14 mm Hg155.00 to 156.00 °C. @ 15.00 mm Hg274 °C155-156°C
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
融点	32.5 °CHeat Fusion at Melting point = 4.5120X10+7 J/kmol (for the beta form)32.00 to 33.00 °C. @ 760.00 mm Hg30-32 °C
蒸気密度	6.9 (Air = 1)Relative vapor density (air = 1): 6.9
蒸気圧	3.62 mmHg at 260 °F (USCG, 1999)0.000436 [mmHg]4.36X10-4 mm Hg at 25 °C
Physical Description	Tridecanol is an oily liquidcolorlessmild, pleasant odor. Floats on water. (USCG, 1999)Colorless liquid or solid[ICSC] White solid[MSDSonline]Colorless liquid with a pleasant odor[HSDB]COLOURLESS OILY LIQUID OR CRYSTALS.
pKa（酸解離定数）	15.20±0.10(Predicted)
色	無色透明の液体

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 3.1% (75 of 2412) of reports.DangerH315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (19.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (72.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (64.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2412 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 75 of 2412 reports by companies.There are 23 notifications provided by 2337 of 2412 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: 1-TridecanolChemical: Alcohols, C12-141-Tridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Tridecanol 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: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17453Status: Active Update: 30-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17503Status: Active Update: 09-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/175321-Tridecanol: 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 - Alcohols, C12-14: Human health tier I assessment