1-Nonanethiol

HCID 15077CAS 1455-21-6

Basic information

Standard SMILES
CCCCCCCCCS
InChIKey
ZVEZMVFBMOOHAT-UHFFFAOYSA-N
Molecular formula
C9H20S
Average molar mass
160.32 g/mol
Monoisotopic mass
160.12857181

Names & identifiers

Preferred name
1-Nonanethiol
IUPAC
nonane-1-thiol
English name
1-Nonanethiol
Molecular formula
C9H20S
Molecular weight
160.32

Names & synonyms

1-NONANETHIOL1455-21-6Nonyl mercaptann-Nonyl mercaptanNonylthioln-nonanethiol39LG2ETV2JNSC 5563NSC-5563DTXSID9061704n-Nonylthiol1-Mercaptononane
Show more names
MERCAPTAN C9Nonan-1-thiol9-Mercaptononane1-NONYL MERCAPTAN
RefChem:76629DTXCID9034733215-936-7nonane-1-thiolnonanethiolnon-thioln-Nonylmercaptan1-Nonylthiol

Database identifiers

CAS
1455-21-6
PubChem CID
15077
DTXSID
DTXSID9061704
UNII
39LG2ETV2J
EC Number
215-936-7
Nikkaji
J43.501E

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
10

Experimental & physicochemical properties

DensityRelative density (water = 1): 0.84
Solubility · 3 items

Insoluble (NIOSH, 2024)

Solubility in water: very poor

Insoluble

Flash Point · 2 items

78 °C

78 °C c.c.

Boiling Point220 °C
Melting Point-20 °C
Vapor DensityRelative vapor density (air = 1): 5.5

Physicochemical properties

Melting point
-20.1 °C · -20.1°C
Boiling point
220 °C · 220 °C (lit.)
Density
0.842 g/mL · 0.842 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.455(lit.)
Flash point
174 °F · 174 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory InformationThe 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.)
DOT LabelFlammable Liquid Poison
Fire Hazards · 2 items

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 · 1 item

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)

Hazards SummarySee THIOLS;
DOT ID and Guide1228 131

Safety & protection

Fire Fighting · 2 items

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 · 4 items

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 · 2 items

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.

Safe StorageSeparated from strong oxidants, strong bases and strong acids.
Nonfire Spill Response · 1 item

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 · 1 item

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.

Toxicology

Target OrgansEyes, skin, respiratory system, blood, central nervous system
Adverse EffectsOther Poison - Chemical Asphyxiant
Exposure Routesinhalation, ingestion, skin and/or eye contact
Signs and Symptoms · 5 items

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

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

Regulatory information

Regulatory InformationThe 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.)

Safety data

F
9-13-23
OEL
Ceiling: 0.5 ppm (3.3 mg/m3) [15-minute]
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3334

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Nonanethiol: ACTIVE
Applications · 3 items

Uses1-Nonanethiol is a germination stimulator. It stimulates the germination of uredospores of Puccinia graminis tritici.

Uses1-Nonanethiol is mainly used to form self-organized monolayers on gold, mercury, silver and platinum surfaces. These monolayers functionalize the surface atoms and improve the surface property of the composite.

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

Suppliers50 total

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]

Related reactions

11 records

Linked notes

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