Basic information
- CAS
133028-20-3- Standard SMILES
CC(C)(C)CCCCCC(=O)Cl- InChIKey
WOFMVUZGDHWHLJ-UHFFFAOYSA-N- Molecular formula
- C10H19ClO
- Average molar mass
- 190.71 g/mol
- Monoisotopic mass
- 190.1124429
Names & identifiers
- Preferred name
- Neodecanoyl chloride
- IUPAC
- 7,7-dimethyloctanoyl chloride
Names & synonyms
Neodecanoyl chloride7,7-dimethyloctanoyl chloride40292-82-8Neodecanoic chloride133028-20-3EINECS 254-875-0UNII-472HUY7V9X472HUY7V9XDTXSID00891218EC 254-875-0RefChem:165194DTXSID3028007
Show more names
DTXCID601030408254-875-02,5,5-TRIMETHYLHEPTANOYL CHLORIDENeodecanoylchlorideneodecanoic acid chlorideSCHEMBL81402AKOS006272372DB-024417
Database identifiers
- CAS
133028-20-3、40292-82-8- PubChem CID
- 94502
- DTXSID
DTXSID00891218- EC Number
- 254-875-0
- Nikkaji
- J3.371.057G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Physical DescriptionLiquid
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
Hazard information
Regulatory Information
Chemical: Neodecanoyl chloride
Neodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoyl 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: 15-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13712
Other Safety InformationIMAP assessments - Neodecanoyl chloride: Human health tier I assessment
Hazard Classes and Categories
Met. Corr. 1 (93.9%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (93.9%)；Eye Dam. 1 (91.3%)；Acute Tox. 2 (100%)；Aquatic Chronic 3 (95.7%)
Acute toxicity - category 2；Acute toxicity - category 4；Skin corrosion - category 1B
Acute Tox. 2 *；Acute Tox. 4 *；Skin Corr. 1B
Regulatory information
Regulatory Information
Chemical: Neodecanoyl chloride
Neodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoyl 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: 15-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13712
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 500,000 - <1,000,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing；All Other Basic Organic Chemical Manufacturing
Neodecanoyl chloride: ACTIVE
Related reactions
5 records
Compound notes
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