Basic information
- CAS
111-19-3- Standard SMILES
O=C(Cl)CCCCCCCCC(=O)Cl- InChIKey
WMPOZLHMGVKUEJ-UHFFFAOYSA-N- Molecular formula
- C10H16Cl2O2
- Average molar mass
- 239.14 g/mol
- Monoisotopic mass
- 238.05273511
Overview
structure given in first source
Names & identifiers
- Preferred name
- Sebacoyl chloride
- IUPAC
- decanedioyl dichloride
- English name
- Sebacoyl chloride
- Molecular formula
- C10H16Cl2O2
- Molecular weight
- 239.14
Names & synonyms
Sebacoyl chlorideDecanedioyl dichloride111-19-3Sebacoyl dichlorideSebacyl chlorideDecanedioyl chlorideSebacic acid dichlorideSebacic acid chlorideDecanedioic dichloride8JT2RJH7AUNSC-56763DTXSID3059397
Show more names
sebacoylSEBACRYL CHLORIDESebacoyldichloridsebacicacidchlorideSebacoyl chloride,99%
RefChem:182113DTXCID8033192203-843-4C10H16Cl2O2Sebacateyl chlorideMFCD00000770octane-1,8-dicarbonyl chlorideEINECS 203-843-4
Database identifiers
- CAS
111-19-3- PubChem CID
- 66072
- DTXSID
DTXSID3059397- UNII
- 8JT2RJH7AU
- EC Number
- 203-843-4
- Nikkaji
- J193.590I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionColorless liquid with an irritating odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -2.5 °C · -2.5 °C
- Boiling point
- 220 °C · 220 °C
- Density
- 1.121 g/mL · 1.121 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.468(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Miscible with hydrocarbons and ethers.
- form
- liquid
- color
- yellow
- Specific Gravity
- 1.121 · 1.121
- Sensitive
- Moisture Sensitive
- BRN
- 1365665 · 1365665
- Stability
- Reacts violently with water liberating toxic gas. Incompatible with water, oxidizing agents, amines, alcohols.
- InChI
- 1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
- InChIKey
- WMPOZLHMGVKUEJ-UHFFFAOYSA-N
- SMILES
- ClC(=O)CCCCCCCCC(Cl)=O
- CAS DataBase Reference
- 111 · 111-19-3(CAS DataBase Reference)
- FDA UNII
- 8 JT2RJH7AU · 8JT2RJH7AU
- EPA Substance Registry System
- Decanedioyl dichloride (111-19-3)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H302-H314-H290
- Precautionary statements
- 501 · P501-P270-P262-P234-P264-P280-P390-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,C
- Risk Statements
- 22 · 22-24-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 8454250 · HD8454250
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HS Code
- 2917 · 2917 19 80
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 400 mg/kg
- 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
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Decanedioyl dichloride
Sebacoyl dichloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A severe eye irritant; Causes tremor and hematuria in intraperitoneal lethal-dose studies of rats; Causes muscle weakness in oral lethal-dose studies of rats; [RTECS] Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS] See Sebacic acid.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 10-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- HD8454250
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2917 19 80
- Toxicity
- LD50 orally in Rabbit: 400 mg/kg
- risk_code
- 22-24-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H310-H302-H314-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)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P501-P270-P262-P234-P264-P280-P390-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanedioyl dichloride: ACTIVE
Applications
UsesSebacoyl Chloride can be used for cosmetic use that involves excellent activities of absorption and skin protection.
General DescriptionSebacoyl chloride is a light yellow, pungent odored di-acryl chloride. It is soluble in hydrocarbons and ethers.It hydrolyzes in water, releasing hydrogen chloride.
Upstream & downstream products
Downstream products
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国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
14 records
Compound notes
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