Basic information
- CAS
21150-73-2- Standard SMILES
CC(C)(C)OCCC(=O)O- InChIKey
KXZYUJNAHMNZBA-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 3-(tert-Butoxy)propionic acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxy]propanoic acid
- English name
- 3-TERT-BUTOXYPROPIONIC ACID
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
3-(tert-Butoxy)propionic acidRefChem:496195627-244-621150-73-23-(tert-butoxy)propanoic acid3-tert-Butoxypropionic acid3-[(2-methylpropan-2-yl)oxy]propanoic Acid3-tert-Butoxypropanoic acidMFCD03426042Propanoicacid, 3-(1,1-dimethylethoxy)-tBu-beta-Lactic acidPropanoic acid, 3-(1,1-dimethylethoxy)-
Show more names
tBu-β-Lactic acid3-(tert-Butoxy)propanoic acid 95+%1,2-dimethyl-3-indolecarboxylic acid3-(tert-Butoxy)propionic acid >=98.0% (T)
3-(tert-butoxy)propanoicacid3-tert-butoxy-propionic acidSCHEMBL242553SCHEMBL2073751RARECHEM AL BO 2290SCHEMBL11127834DTXSID90375431SBB086492
Database identifiers
- CAS
21150-73-2- PubChem CID
- 2760949
- DTXSID
DTXSID90375431- EC Number
- 627-244-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 214 · 214-216°C
- Boiling point
- 70 · 70-72/0.22mm
- Density
- 0.989 g/mL · 0.989 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.424
- form
- liquid
- color
- Colourless
- InChI
- 1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
- InChIKey
- KXZYUJNAHMNZBA-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OCCC(O)=O
- CAS DataBase Reference
- 21150 · 21150-73-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- safety_code
- 26
Chemistry & industry
Applications
Uses3-tert-Butoxypropionic Acid can be used as an anti-tumor agent. It can also be used for its antibacterial properties.
Suppliers19 total
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海研纷生化科技有限公司13611955358 15002190549 · [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]
成都康悦慧蓝医药技术有限公司028-81092800 17323275954 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
10 records
Compound notes
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