基本情報
- 標準SMILES
CCCCCCCCCS- InChIKey
ZVEZMVFBMOOHAT-UHFFFAOYSA-N- 分子式
- C9H20S
- 平均分子量
- 160.32 g/mol
- 単同位体質量
- 160.12857181
名称と識別子
- 優先名称
- 1-Nonanethiol
- IUPAC
- nonane-1-thiol
- 現地名
- ノニルチオアルコール
- 英語名
- 1-Nonanethiol
- 分子式
- C9H20S
- 分子量
- 160.32
名称と別名
名称をさらに表示
データベース識別子
- CAS
1455-21-6- PubChem CID
- 15077
- DTXSID
DTXSID9061704- UNII
- 39LG2ETV2J
- EC Number
- 215-936-7
- Nikkaji
- J43.501E
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 1 Ų
- 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
- 7
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 52
実験および物理化学的性質
Solubility
Insoluble (NIOSH, 2024)
Solubility in water: very poor
Insoluble
Flash Point
78 °C
78 °C c.c.
Physical Description
1-nonanethiol is a colorless liquid with a bad smell. Mp: -21 °C; bp: 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.
Liquid.
Kovats Retention Index
1218;1219;1219;1218
1233;1233;1233
1470
物理化学的性質
- 融点
- -20.1 °C · -20.1°C
- 沸点
- 220 °C · 220 °C (lit.)
- 比重(密度)
- 0.842 g/mL · 0.842 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.455(lit.)
- 闪点
- 174 °F · 174 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム(少量)、メタノール(少量)
- 外見
- 油
- 酸解離定数(Pka)
- 10.52 · 10.52±0.10(Predicted)
- 色
- 無色
- BRN
- 1733631 · 1733631
- Henry's Law Constant
- 5.7 · 5.7×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- 安定性
- 空気に敏感
- InChI
- 1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
- InChIKey
- ZVEZMVFBMOOHAT-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCS
- LogP
- 5.008 · 5.008 (est)
- CAS データベース
- 1455 · 1455-21-6(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Nonanethiol(1455-21-6)
- EPAの化学物質情報
- 1 · 1-Nonanethiol (1455-21-6)
化学的性質
化学的特性CLEAR YELLOW LIQUID
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.
Warning
H315 (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 exposure; Respiratory 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.
危険有害性情報
Fire Hazards
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.
Health Hazards
Excerpt from NIOSH Pocket Guide for 1-Nonanethiol:;Exposure Routes: Inhalation, ingestion, skin and/or eye contact;Symptoms: Irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting;Target Organs: Eyes, skin, respiratory system, blood, central nervous system (NIOSH, 2024)
Reactivity Profile
1-NONANETHIOL is incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite (Ca(OCl)2) to generate SOx. React with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
安全と保護具
Fire Fighting
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Avoid aiming straight or solid streams directly onto the product.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)
Use water spray, powder, foam, carbon dioxide.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Do NOT induce vomiting. Give one or two glasses of water to drink.
First Aid
Excerpt from NIOSH Pocket Guide for 1-Nonanethiol:;Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: SOAP WASH - If this chemical contacts the skin, wash the contaminated skin with soap and water.;Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.;Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)
(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Soap wash - If this chemical contacts the skin, wash the contaminated skin with soap and water.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.
Nonfire Spill Response
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors.;SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Isolation and Evacuation
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
毒性情報
Signs and Symptoms
Cough. Sore throat. Headache. Nausea.
Redness.
Redness. Pain.
Headache. Nausea. Vomiting.
irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting
法規制情報
安全データ
- F
- 9-13-23
- OEL
- Ceiling: 0.5 ppm (3.3 mg/m3) [15-minute]
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-26-28
- hazard_class
- 9
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
使用1-Nonanethiol is a germination stimulator. It stimulates the germination of uredospores of Puccinia graminis tritici.
一般的な説明Colorless liquid with a bad smell. Mp: -21°C; bp: 220°C. Density: 0.840 g cm-3 at 25°C. Combustible liquid.
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