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Capric dimethyl amine oxide

HCID 62452
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2605-79-0
Standard SMILES
CCCCCCCCCC[N+](C)(C)[O-]
InChIKey
ZRKZFNZPJKEWPC-UHFFFAOYSA-N
Molecular formula
C12H27NO
Average molar mass
201.35 g/mol
Monoisotopic mass
201.20926449

Overview

Decylamine-N,N-dimethyl-N-oxide is a tertiary amine oxide that is the N-oxide of N,N-dimethyldecan-1-amine. It has a role as a xenobiotic and an environmental contaminant.

Names & identifiers

Preferred name
Capric dimethyl amine oxide
IUPAC
N,N-dimethyldecan-1-amine oxide
English name
N,N-Dimethyldecylamine N-oxide
Molecular formula
C12H27NO
Molecular weight
201.35

Names & synonyms

2605-79-0N,N-Dimethyldecylamine N-oxideDecylamine oxide1-Decanamine, N,N-dimethyl-, N-oxideN,N-Dimethyldecylamine oxideCapric dimethyl amine oxideDecyl dimethyl amine oxideN,N-dimethyldecanamine oxideDECYLAMINE-N,N-DIMETHYL-N-OXIDEdecyl(dimethyl)amine oxideN,N-Dimethyl-1-decanamine-N-oxideDTXSID7042190
Show more names
DDAOBarlox(R) 10SDDAO, Decylamine oxideColesevelam Impurity 8ecyldimethylamine N-oxideDimethyldecylamine N-oxideDecyldimethylamine N-oxide
MACKAMINE C-10BARLOX 10SG387VUT5EZEINECS 220-020-5DTXCID5022190CHEBI:41899EC 220-020-5RefChem:573751

Database identifiers

CAS
2605-79-0
PubChem CID
62452
DTXSID
DTXSID7042190

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
18.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
9
Heavy atoms
14
Formal charge
0
Complexity
123

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsHair conditioning; Antistatic; Foam boosting; Surfactant
FragrancesFragrance Ingredient (1-Decanamine, N,N-dimethyl-, N-oxide) -> IFRA transparency List
Physical DescriptionCBI; Liquid
Collision Cross Section166.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7042190]

Physicochemical properties

Melting point
70 · 70 - 73°C
Density
0.996 g/mL · 0.996 g/mL at 20 °C
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
20 · n20/D 1.337
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Danger

H302 (32%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 768 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Hazard information

Regulatory Information · 4 items

Chemical: 1-Decanamine, N,N-dimethyl-, N-oxide

1-Decanamine, N,N-dimethyl-, N-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanamine, N,N-dimethyl-, N-oxide 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)

REACH registered substance: N,N-dimethyldecylamine N-oxide (EC: 220-020-5)

N,N-dimethyl-1-decanamine, N-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

EPA Safer ChemicalChemical: Capric dimethyl amine oxide
Hazard Classes and CategoriesAcute Tox. 4 (32%)

Safety data

F
3-10
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 11 consumer products that contain Decylamine oxide in the following categories is provided:
Use Classification · 4 items

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Fragrance Ingredients

Cosmetics -> Hair conditioning; Antistatic; Foam boosting; Surfactant

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

1-Decanamine, N,N-dimethyl-, N-oxide: ACTIVE

Applications · 4 items

DescriptionDDAO is a far-red fluorogenic substrate for esterase and lipase.

UsesBarlox(R) 10S is a decyl amine oxide surfactant. Barlox(R) 10S provides superior coupling power without excessive foam.

UsesN,N-Dimethyldecylamine N-oxide

UsesDDAO is the derivative of 2,6-Dichloroquinone-4-chloroimide (D195160), which is used as a reagent for the spectrophotometric determination of phenols as well as other aromatic compounds.

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
ChEMBL
CHEMBL1232157
ChEBI
CHEBI:41899
UNII
G387VUT5EZ
EC Number
220-020-5
Nikkaji
J192.113D
form
Solid
pka
4.79 · 4.79±0.40(Predicted)
color
White to Off-White
Water Solubility
409.5 g/L · 409.5g/L at 30℃
BRN
2352550 · 2352550
Cosmetics Ingredients Functions
CLEANSINGANTISTATICHAIR CONDITIONINGSURFACTANT - HYDROTROPESURFACTANT - CLEANSINGSURFACTANT - FOAM BOOSTING
InChI
1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
InChIKey
ZRKZFNZPJKEWPC-UHFFFAOYSA-N
SMILES
CCCCCCCCCC[N+](C)(C)[O-]
LogP
0.95 at · 0.95 at 20℃
CAS DataBase Reference
2605 · 2605-79-0
EWG's Food Scores
1 · 1
FDA UNII
387 VUT5EZ · G387VUT5EZ
EPA Substance Registry System
N,N-Dimethyldecylamine oxide (2605-79-0)
UNSPSC Code
12352116 · 12352116
NACRES
26 · NA.26
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-24/25
WGK Germany
3 · 3
F
3 · 3-10
TSCA
TSCA listed
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations
Active
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-24/25
Storage Class
11 - Combustible Solids
target organs
Respiratory system
Hazard statements
H315-H319-H335
REACH Registrations
Active
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
Dr. Silviu Pharmachem Pvt. Ltd+91 (20) 6510-4672 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Alfa Chemistry1-516-6625404 · [email protected]
南兴化工(江苏)有限公司0512-66387035 18662433356 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南沃咖斯生物科技有限公司18537671377 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
山东崇成能源科技有限公司18253333366 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
临沂康爱特化工科技有限公司0523-84506864 15152665088 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]

Additional notes

DefinitionChEBI: A N-oxide of N,N-dimethyldecan-1-amine.