Basic information
- 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
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
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
康幸生物科技（上海）有限公司021-61556450 15800904410
Related reactions
208 records
Linked notes
Loading…