Basic information
- CAS
821-38-5- Standard SMILES
O=C(O)CCCCCCCCCCCCC(=O)O- InChIKey
HQHCYKULIHKCEB-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Overview
Tetradecanedioic acid is an alpha,-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as a human metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a tetradecanedioate(2-). It derives from a hydride of a tetradecane.
Names & identifiers
- Preferred name
- Tetradecanedioic acid
- IUPAC
- tetradecanedioic acid
- English name
- Tetradecanedioic acid
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
TETRADECANEDIOIC ACID821-38-51,12-Dodecanedicarboxylic acidTetradecane-1,14-dioic acid1,14-Tetradecanedioic acidDodecamethylenedicarboxylic acidNSC 9504UEC3AC47H1NSC-9504DTXSID5061166CHEBI:76308RefChem:188494
Show more names
tetradecanedioateDCA 14tetradecane diacidetradecanedioicaciRARECHEM AL BO 1123tetradecandioic acidDICARBOXYLIC ACID C14TETRADECANEDIOIC ACID,AR
DTXCID5048265212-476-9tetradecanedioicacidTetradecanedicarboxylateTetradecanedicarboxylic acid1,12-DodecanedicarboxylateMFCD000027431,12-Dodecaned
Database identifiers
- CAS
821-38-5- PubChem CID
- 13185
- DTXSID
DTXSID5061166- ChEBI
CHEBI:76308- UNII
- UEC3AC47H1
- EC Number
- 212-476-9
- Nikkaji
- J43.333K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Solubility0.2 mg/mL
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 124 · 124-127 °C (lit.)
- Boiling point
- 427.81 °C · 427.81°C (rough estimate)
- Density
- 1.0768 · 1.0768 (rough estimate)
- vapor pressure
- 1.3 hPa · 1.3hPa at 20℃
- refractive index
- 1.465 · 1.4650 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 4.48 · 4.48±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- SLIGHTLY SOLUBLE
- BRN
- 1788202 · 1788202
- InChI
- 1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
- InChIKey
- HQHCYKULIHKCEB-UHFFFAOYSA-N
- SMILES
- OC(=O)CCCCCCCCCCCCC(O)=O
- LogP
- 4.2 at · 4.2 at 25℃
- CAS DataBase Reference
- 821 · 821-38-5(CAS DataBase Reference)
- FDA UNII
- 3 AC47H1 · UEC3AC47H1
- NIST Chemistry Reference
- Tetradecanedioic acid(821-38-5)
- EPA Substance Registry System
- Tetradecanedioic acid (821-38-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29171900 · 29171900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
Danger
H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Tetradecanedioic acid (EC: 212-476-9)
Tetradecanedioic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (87.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29171900
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationTetradecanedioic acid: ACTIVE
Applications
UsesTetradecanedioic acid is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
陕西帕尼尔生物科技有限公司13720616393；029-84385017-8003 13720616393 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
山东君泰药业有限公司15006412179 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
Additional notes
DefinitionChEBI: An alpha,omega-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
Related reactions
4 records
Compound notes
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