Basic information
- CAS
234082-00-9- Standard SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)O- InChIKey
MNMGREKTJAQGNV-UHFFFAOYSA-N- Molecular formula
- C18H34O4
- Average molar mass
- 314.5 g/mol
Names & identifiers
- Preferred name
- 14-(Tert-butoxy)-14-oxotetradecanoic acid
- IUPAC
- 14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid
- English name
- 14-(tert-Butoxy)-14-oxotetradecanoic acid
- Molecular formula
- C18H34O4
- Molecular weight
- 314.46
Names & synonyms
14-(tert-butoxy)-14-oxotetradecanoic acid234082-00-9RefChem:437448800-138-9tert-Butyl Hydrogen TetradecanedioateMFCD2313604014-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acidTetradecanedioic acid 1-tert-butyl estertetradecanedioic acid mono-tert-butyl esterTetradecanedioic acid, mono(1,1-dimethylethyl) esterorb3022143SCHEMBL2183805
Show more names
Erdosteine Impurity 1614-(tert-Butoxy)-l4-oxotetradecanoic acidTetradecanedioic acid, 1-(1,1-dimethylethyl) ester
MNMGREKTJAQGNV-UHFFFAOYSA-NTYD-01876AKOS025393543SS-4583Tetradecanedioic acid mono-t-butyl esterBP-24391DA-07863SY243164
Database identifiers
- CAS
234082-00-9- PubChem CID
- 75176271
- EC Number
- 800-138-9
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 51 °C · 51 °C
- Boiling point
- 417.4 · 417.4±18.0 °C(Predicted)
- Density
- 0.971 · 0.971±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C18H34O4/c1-18(2,3)22-17(21)15-13-11-9-7-5-4-6-8-10-12-14-16(19)20/h4-15H2,1-3H3,(H,19,20)
- InChIKey
- MNMGREKTJAQGNV-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)CCCCCCCCCCCCC(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2917198090 · 2917198090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Applications
Usestert-Butyl Hydrogen Tetradecanedioate is a short linker featuring a carboxylic acid and a tert-butyl ester. Carboxylic acids can be reacted with alcohols or amines, while the tert-butyl ester can be selectively deprotected to allow for reactivity as a carboxylic acid to form esters or amides.
Suppliers94 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changsha Morning Shine Co., Ltd.+86-13751227286 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
Related reactions
1 records
Compound notes
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