tert-Nonanethiol

HCID 520196

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 25360-10-5
Standard SMILES: CCCCCCC(C)(C)S
InChIKey: MPBLPZLNKKGCGP-UHFFFAOYSA-N
Molecular formula: C9H20S
Average molar mass: 160.32 g/mol
Monoisotopic mass: 160.12857181

Names & identifiers

Preferred name: tert-Nonanethiol
IUPAC: 2-methyloctane-2-thiol
English name: TERT-NONYL MERCAPTAN
Molecular formula: C9H20S
Molecular weight: 160.32

Names & synonyms

tert-Nonanethioltert-Nonyl mercaptan25360-10-51,1-DimethylheptanethiolEINECS 246-896-9tert-Nonyl mercaptan (7CI,8CI)168S427F21EC 246-896-9SULFOLE 90J263.394IDTXSID4027868RefChem:896605

Show more names

tert mixtureT-NONYL MERCAPTAN1,1-DimethylheptanthiolTertiarynonyl mercaptantert-Nonyl Mercaptan (mixture)1,1-Dimethylheptyl hydrosulfide

246-896-92-methyloctane-2-thiolTERT-NONYLMERCAPTAN55646-15-6MFCD00059963UNII-168S427F21DSSTox_CID_7868DSSTox_RID_78596

Database identifiers

CAS: 25360-10-5、55646-15-6
PubChem CID: 520196
DTXSID: DTXSID40274046
ChEMBL: CHEMBL1870953
UNII: 168S427F21
EC Number: 246-896-9
Nikkaji: J2.918.722C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 76.8

Experimental & physicochemical properties

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid

Physicochemical properties

Melting point: -44.55 °C · -44.55°C (estimate)
Boiling point: 188 °C · 188 °C(lit.)
Density: 0.856 g/mL · 0.856 g/mL at 25 °C(lit.)
vapor pressure: 1.44 hPa · 1.44hPa at 25℃
refractive index: 20 · n20/D 1.457(lit.)
Flash point: 104 °F · 104 °F
form: clear liquid
color: Colorless to Light yellow
Viscosity: 1.72 mm2/s · 1.72mm2/s
Water Solubility: 16.6 mg/L · 16.6mg/L at 20℃
InChI: 1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3
InChIKey: MPBLPZLNKKGCGP-UHFFFAOYSA-N
SMILES: CCCCCCC(C)(C)S
LogP: 4.21 at · 4.21 at 20℃
CAS DataBase Reference: 25360 · 25360-10-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 168 S427F21 · 168S427F21
NIST Chemistry Reference: Tert-nonyl mercaptan(25360-10-5)
EPA Substance Registry System: tert-Nonanethiol (25360-10-5)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H317-H319-H335
Precautionary statements: 210 · P210-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37-43
Safety Statements: 16 · 16-26-36
RIDADR: 3336 · UN 3336 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.9250
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3
Toxicity: 2 gm/kg · rat,LD,skin,> 2gm/kg (2000mg/kg),National Technical Information Service. Vol. OTS0555158,
REACH Registrations: Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (91.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 532 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: tert-Nonanethiol

tert-Nonanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of tert-Nonanethiol 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)

REACH registered substance: 1,1-dimethylheptanethiol (EC: 246-896-9)

TERT-NONANETHIOL: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (91.4%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3336 3/PG 2
hs_code: 2930.90.9250
Toxicity: rat,LD,skin,> 2gm/kg (2000mg/kg),National Technical Information Service. Vol. OTS0555158,
risk_code: 10-36/37-43
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 6.1(b)
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H317-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3
Precautionary statements: P210-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesLubricating agent

General Manufacturing Information · 2 items

Petroleum Lubricating Oil and Grease Manufacturing

tert-Nonanethiol: ACTIVE

Applications

Usestert-Nonyl Mercaptan can be used as additives for lubricants.

Suppliers45 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

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Compound notes

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