Basic information
- CAS
63632-58-6- Standard SMILES
CCCCCCCCOCC(=O)O- InChIKey
HPSBYYHIHGQARI-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- (Octyloxy)acetic acid
- IUPAC
- 2-octoxyacetic acid
- English name
- 2-Octoxyacetic acid
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
2-(Octyloxy)acetic acid63632-58-6(octyloxy)acetic acidAcetic acid, 2-(octyloxy)-Acetic acid, (octyloxy)-3V9TB38ZCXNSC-294114DTXSID40274849RefChem:196560DTXCID40226303848-769-92-octoxyacetic acid
Show more names
MFCD11196116Octyloxy-acetic acid2-(Octyloxy)aceticacidUNII-3V9TB38ZCXorb2308728orb2900351SCHEMBL1357025NSC294114
Database identifiers
- CAS
63632-58-6- PubChem CID
- 28319
- DTXSID
DTXSID40274849- UNII
- 3V9TB38ZCX
- EC Number
- 848-769-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-13-9-10(11)12/h2-9H2,1H3,(H,11,12)
- InChIKey
- HPSBYYHIHGQARI-UHFFFAOYSA-N
- SMILES
- C(O)(=O)COCCCCCCCC
- FDA UNII
- 3 V9TB38ZCX · 3V9TB38ZCX
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州君叶生物医药科技有限公司0512-0512-53662086-8001 18913766772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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