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693-23-2

693-23-2 Structure

693-23-2 Structure
IdentificationMore
[Name]

Dodecanedioic acid
[CAS]

693-23-2
[Synonyms]

1,10-DECANEDICARBOXYLIC ACID
1,12-DODECANEDIOIC ACID
DDA
DDDA
DECAMETHYLENEDICARBOXYLIC ACID
DECANE-1,10-DICARBOXYLIC ACID
DICARBOXYLIC ACID C12
DODECANEDIOIC ACID
RARECHEM AL BO 0308
1,10-decandicarboxylicacid
1,10-dicarboxydecane
1,12-Dodecandioic acid
1,10-Decanedicarboxylicacid,99%
Dodecanedioic Acid (DDDA)
DODECANEDIOCACID
DODECANEDIOIC
N-DODECANEDIOICACID
1,12-Dodecandisure
1,12-Dodecanoic acid
DODECANE
[EINECS(EC#)]

211-746-3
[Molecular Formula]

C12H22O4
[MDL Number]

MFCD00002735
[Molecular Weight]

230.3
[MOL File]

693-23-2.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

127-129 °C (lit.)
[Boiling point ]

245 °C/10 mmHg (lit.)
[density ]

1,15 g/cm3
[vapor pressure ]

21 mm Hg ( 222 °C)
[refractive index ]

1.4437 (estimate)
[RTECS ]

JR2370000
[Fp ]

220 °C
[storage temp. ]

−20°C
[solubility ]

ethanol: 0.1 g/mL, clear
[form ]

Pellets or Powder
[pka]

4.48±0.10(Predicted)
[color ]

White
[PH]

5 (H2O, 20℃)(aqueous suspension)
[Stability:]

Stable. Incompatible with strong oxidizing agents, reducing agents. Combustible.
[Water Solubility ]

< 0.1 g/L (20 ºC)
[Sensitive ]

Air Sensitive
[BRN ]

1782580
[Henry's Law Constant]

9.9×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
[Cosmetic Ingredient Review (CIR)]

Dodecanedioic acid (693-23-2)
[InChI]

1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
[InChIKey]

CXMXRPHRNRROMY-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCCCCCCCCC(O)=O
[LogP]

3.2 at 25℃
[CAS DataBase Reference]

693-23-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Dodecanedioic acid(693-23-2)
[EPA Substance Registry System]

Dodecanedioic acid (693-23-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

-
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
[Hazardous Substances Data]

693-23-2(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide-->1,3-Butadiene-->1-Dodecanol-->Cyclododecane-->Cyclododeca-1,5,9-triene
[Preparation Products]

14-Methylpentadecanoic acid-->Cyclotetradecane-->Dodecanedioic acid, Mono(1,1-diMethylethyl) ester-->Dodecanedioic Dihydrazide-->Dodecanedioic acid, 1-(phenylmethyl) ester-->Oxacyclotridecan-2-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dodecanedioic acid(693-23-2).msds
Hazard InformationBack Directory
[Description]

This acid is used in the production of nylon (nylon - 6,12), polyamides, coatings, adhesives, greases, polyesters, dyestuffs, detergents, flame retardants, and fragrances. It is now produced by fermentation of long-chain alkanes with a specific strain of Candida tropicalis. Its monounsaturated analogue (traumatic acid) is described below.
[Chemical Properties]

white crystalline powder
[Uses]

Induced mutation of dodecanedioic acid producing Candida tropicalis.
[Definition]

ChEBI: An alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
[Preparation]

Dodecanedioic acid is prepared from cyc1ododecene (obtained from butadiene) by methods which are entirely analogous to those used to prepare adipic acid from benzene. The cyclododecene is reduced to cyclododecane, which is oxidized firstly to a mixture of cyc1ododecanol and cyclododecanone and then to dodecanedioic acid. Dodecanedioic acid is a colourless crystalline solid, m.p. 129°C.
[Purification Methods]

Crystallise the dioic acid from water, 75% or 95% EtOH (solubility is 10%), or glacial acetic acid. [Beilstein 2 IV 2126.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dodecanedioic acid(693-23-2)MS
Dodecanedioic acid(693-23-2)1HNMR
Dodecanedioic acid(693-23-2)13CNMR
Dodecanedioic acid(693-23-2)IR1
Dodecanedioic acid(693-23-2)IR2
Dodecanedioic acid(693-23-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,10-Decanedicarboxylic acid, 99%(693-23-2)
[Alfa Aesar]

Dodecanedioic acid, 99%(693-23-2)
[Sigma Aldrich]

693-23-2(sigmaaldrich)
[TCI AMERICA]

Dodecanedioic Acid,>98.0%(GC)(T)(693-23-2)
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