Basic information
- CAS
22075-86-1- Standard SMILES
O=C(O)CCCCCCCCCCCCl- InChIKey
CSQLFBKZQRLUFP-UHFFFAOYSA-N- Molecular formula
- C12H23ClO2
- Average molar mass
- 234.76 g/mol
Overview
12-chloro-dodecanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 12-Chloro-dodecanoic acid
- IUPAC
- 12-chlorododecanoic acid
- English name
- 12-Chlorododecanoic Acid
- Molecular formula
- C12H23ClO2
- Molecular weight
- 234.76282
Names & synonyms
12-chloro-dodecanoic acidRefChem:7814612-Chlorododecanoic acid22075-86-1NSC667272NSC 667272;starbld0041415SCHEMBL3753121CHEBI:137751CSQLFBKZQRLUFP-UHFFFAOYSA-NLMFA01090008NSC-667272
Database identifiers
- CAS
22075-86-1- PubChem CID
- 381109
- ChEBI
CHEBI:137751- EC Number
- 974-804-3
- Nikkaji
- J813.528B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Physicochemical properties
- Melting point
- 42 · 42 - 43°C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- color
- Off-White to Pale Brown
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
Uses12-Chlorododecanoic Acid is used via animation to synthesize α-Amino dodecanoic acid (ADA); Also, it is derived from 12-Hydroxylauric Acid (H943775), which is used in the structural and functional characterization of S-nitrosoglutathione reductase from Solanum lycopersicum.
Suppliers1 total
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Additional notes
DefinitionChEBI: 12-chloro-dodecanoic acid is a medium-chain fatty acid.
Related reactions
3 records
Compound notes
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