Stearoyl chloride
Basic information
- CAS
112-76-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)Cl- InChIKey
WTBAHSZERDXKKZ-UHFFFAOYSA-N- Molecular formula
- C18H35ClO
- Average molar mass
- 302.9 g/mol
- Monoisotopic mass
- 302.23764342
Names & identifiers
- Preferred name
- Stearoyl chloride
- IUPAC
- octadecanoyl chloride
- English name
- STEAROYL CHLORIDE
- Molecular formula
- C18H35ClO
- Molecular weight
- 302.92
Names & synonyms
STEAROYL CHLORIDEOctadecanoyl chloride112-76-5Stearic acid chlorideStearic chloriden-Octadecanoyl chlorideOctadecanoic acid, chlorideMYP8E32GM2DTXSID9051583RefChem:185406DTXCID3030135204-004-5
Show more names
STCLstearicchlorideStearic cgkirudeStearoyl chloridStearoylChloride>Octadecanoyl chloridSTEARYL CHLORIDE 98%
Stearyl chlorideoctadecanoic acid chlorideMFCD00000744octadecanoylchlorideHSDB 5576EINECS 204-004-5UNII-MYP8E32GM2C18H35ClO
Database identifiers
- CAS
112-76-5- PubChem CID
- 8212
- DTXSID
DTXSID9051583- UNII
- MYP8E32GM2
- EC Number
- 204-004-5
- Nikkaji
- J110.175G
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Stearates
Solubility
SOL IN HOT ALCOHOL
SOL IN HYDROCARBONS AND ETHERS
Boiling Point215 °C @ 15 MM HG
Melting Point23 °C
Refractive IndexINDEX OF REFRACTION: 1.4523 @ 24 °C/D
Physical Description
Liquid
mp = 23 deg C; [HSDB] Slightly viscous liquid; mp = 18-22 deg C; [MSDSonline] White solid; mp = 21 deg C; [MSDSonline]
Physicochemical properties
- Melting point
- 21 · 21-22 °C(lit.)
- Boiling point
- 174 · 174-178 °C2 mm Hg(lit.)
- Density
- 0.897 g/mL · 0.897 g/mL at 25 °C(lit.)
- vapor pressure
- 0.034 · 0.034-20Pa at 25-115.2℃
- refractive index
- 20 · n20/D 1.454(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 20 °C · −20°C
- solubility
- soluble in Toluene,Acetone
- form
- liquid
- color
- strongly brown
- Specific Gravity
- 0.897 · 0.897
- Water Solubility
- hydrolysis
- BRN
- 639784 · 639784
- InChI
- 1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
- InChIKey
- WTBAHSZERDXKKZ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC(Cl)=O
- CAS DataBase Reference
- 112 · 112-76-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 E32GM2 · MYP8E32GM2
- NIST Chemistry Reference
- Stearic acid chloride(112-76-5)
- EPA Substance Registry System
- Octadecanoyl chloride (112-76-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H317-H290
- Precautionary statements
- 501 · P501-P261-P272-P234-P264-P280-P302+P352-P390-P362+P364-P333+P313-P305+P351+P338+P310-P406
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 14 · 14-34
- Safety Statements
- 26 · 26-36/37/39-43-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 2162000 · RG2162000
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29159000 · 29159000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Hazardous Substances Data
- 112 · 112-76-5(Hazardous Substances Data)
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
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
Danger
H290 (59.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P333+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 180 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: Octadecanoyl chloride
Octadecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoyl chloride 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: 16-03-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12664
Stearoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octadecanoyl chloride: Environment tier I assessment
Hazards Summary
Induces general anesthesia and causes ataxia in lethal-dose feeding studies of rats; [RTECS] Reacts violently with water forming hydrochloric acid; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See STEARATES.
Hazard Classes and Categories
Met. Corr. 1 (59.4%)
Skin corrosion/irritation - Category 2
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RG2162000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29159000
- risk_code
- 14-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-43-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H315-H318-H317-H290
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P501-P261-P272-P234-P264-P280-P302+P352-P390-P362+P364-P333+P313-P305+P351+P338+P310-P406
- Hazardous Substances Data
- 112-76-5(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used in the synthesis of organic compounds; [Hawley]
PREPN OF SUBSTITUTED AMINES AND AMIDES, ACID ANHYDRIDES, ESTERIFICATION OF ALCOHOLS, SYNTHESIS OF OTHER ORG COMPD
U.S. Production2023: 10,000,000 - <50,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octadecanoyl chloride: ACTIVE
Applications
UsesStearoyl chloride was used in the synthesis of 4-fluoroceramide. It was also used in the preparation of shimofuridin analogs: 2′-O-(4-O-stearoyl-alpha-L-fucopyranosyl)thymidine and -uridine.
UsesStearoyl Chloride is usually used in the synthesis of tumor-associated macrophages and antitumor agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
208 records
Compound notes
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