1-Nonanethiol

nonane-1-thiol · Nonylthiol · MERCAPTAN C9 · 1-NONANETHIOL · Nonan-1-thiol · NONYL MERCAPTAN · 1-mercaptononane · 9-Mercaptononane

https://huagongshe.com/ko/chemical/15077

식별자 및 물리적 특성

CAS No.	1455-21-6
분자식	C9H20S
평균 분자량	160.32 g/mol
단동위원소 질량	160.12857181 g/mol
SMILES	CCCCCCCCCS
InChIKey	ZVEZMVFBMOOHAT-UHFFFAOYSA-N
PubChem CID	15077
EC No.	215-936-7
DTXSID	DTXSID9061704

화학 및 물리적 성질

XLogP	5.2
극성 표면적	1
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	7
무거운 원자 수	10
형식 전하	0
복잡도	52
밀도	Relative density (water = 1): 0.840.842 g/mL at 25 °C (lit.)
용해도	Insoluble (NIOSH, 2024)Solubility in water: very poor클로로포름(소량으로 용해), 메탄올(약간 용해됨)
인화점	78 °C78 °C c.c.174 °F
끓는 점	220 °C220 °C (lit.)
녹는점	-20 °C-20.1°C
증기 밀도	Relative vapor density (air = 1): 5.5
증기압	0.13 [mmHg]
Physical Description	1-nonanethiol is a colorless liquid with a bad smell. Mp: -21 °Cbp: 220 °C. Density: 0.840 g cm-3 at 25 °C. Combustible liquid.Colorless liquid with a strong, obnoxious odor[CHEMINFO]COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Kovats Retention Index	1218121912331470
굴절률	n20/D 1.455(lit.)
저장 조건	2-8°C
물리적 상태	기름
pKa(산도 계수)	10.52±0.10(Predicted)
색상	무색
BRN	1733631
헨리 상수	5.7×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
안정성	공기에 민감한
InChI	1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKey	ZVEZMVFBMOOHAT-UHFFFAOYSA-N
SMILES	CCCCCCCCCS
LogP(분배 계수)	5.008 (est)
NIST	1-Nonanethiol(1455-21-6)
EPA	1-Nonanethiol (1455-21-6)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.There are 4 notifications provided by 44 of 45 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.
규제 정보	The 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.)
운송 라벨(DOT)	Flammable Liquid Poison
화재 위험	Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)Combustible. Above 78 °C explosive vapour/air mixtures may be formed.

용도

1-Nonanethiol is a germination stimulator. It stimulates the germination of uredospores of Puccinia graminis tritici.

일반 설명

Colorless liquid with a bad smell. Mp: -21°C; bp: 220°C. Density: 0.840 g cm-3 at 25°C. Combustible liquid.