CAS 33144-09-1 Heptadecanoyl chloride, 16-methyl- (HCID 118402)

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Basic information

CAS: 33144-09-1
Standard SMILES: CC(C)CCCCCCCCCCCCCCC(=O)Cl
InChIKey: LFDKQJVNMJFNGG-UHFFFAOYSA-N
Molecular formula: C18H35ClO
Average molar mass: 302.9 g/mol
Monoisotopic mass: 302.23764342

Names & identifiers

Preferred name: Heptadecanoyl chloride, 16-methyl-
IUPAC: 16-methylheptadecanoyl chloride
English name: 16-Methylheptadecanoic acid chloride
Molecular formula: C18H35ClO
Molecular weight: 302.93

Names & synonyms

Isostearoyl chlorideHeptadecanoyl chloride, 16-methyl-Isooctadecanoyl chloride33144-09-178851-23-716-methylheptadecanoyl chlorideEINECS 278-996-3SCHEMBL338497DTXSID7067748NS0013017816-Methylheptadecanoic acid chloride

Database identifiers

CAS: 33144-09-1、78851-23-7
PubChem CID: 118402
DTXSID: DTXSID7067748
EC Number: 278-996-3
Nikkaji: J422.288A

Properties

Computed structural properties

XLogP: 8.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 15
Heavy atoms: 20
Formal charge: 0
Complexity: 213

Physicochemical properties

EPA Substance Registry System: 16 · Heptadecanoyl chloride, 16-methyl- (33144-09-1)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.