Basic information
- CAS
758-12-3- Standard SMILES
[2H]OC(C)=O- InChIKey
QTBSBXVTEAMEQO-DYCDLGHISA-N- Molecular formula
- C2H4O2
- Average molar mass
- 61.06 g/mol
- Monoisotopic mass
- 61.02740611
Names & identifiers
- Preferred name
- Acetic (2H)acid
- IUPAC
- deuterio acetate
- English name
- Acetic acid-d
- Molecular formula
- C2H3DO2
- Molecular weight
- 61.06
Names & synonyms
ACETIC ACID-DAcetic (2H)acidEINECS 212-059-1Acetic [2H]acidRefChem:551875212-059-1758-12-3deuterio acetateMonodeuteroacetic AcidAcetic acid-d1Acetic(2H)acidAcetic Acid-?d
Show more names
Acetic acid-OD(O-2H)Acetic acid[O-2H]Acetic acidacetic acid glacial-DAcetic Acid-d1 98atom%DAcetic acid-d, 98 atoM%D
MFCD00051050C2H4O2ethan(?H)oic acidCH3COOD(O-~2~H)Acetic acidSCHEMBL95572Acetic acid-d, 99 atom % DDTXSID70997190
Database identifiers
- CAS
758-12-3- PubChem CID
- 2723902
- DTXSID
DTXSID70997190- EC Number
- 212-059-1
- Nikkaji
- J193.119I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 31
Physicochemical properties
- Melting point
- 15 · 15-16 °C(lit.)
- Boiling point
- 116 · 116-117 °C(lit.)
- Density
- 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
- vapor density
- 2.07 · 2.07 (vs air)
- vapor pressure
- 11.4 mm · 11.4 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.3715(lit.)
- Flash point
- 104 °F · 104 °F
- storage temp.
- Flammables area
- solubility
- soluble in Benzene
- form
- Liquid
- color
- Clear colorless
- PH
- 2.5 · 2.5 (50g/l, H2O, 20℃)
- explosive limit
- 4 · 4-19.9%(V)
- BRN
- 1739249 · 1739249
- Stability
- Hygroscopic, Moisture sensitive
- InChI
- 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2789 8/PG 2
- hs_code
- 28459000
- risk_code
- 10-35
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 23-26-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Corr. 1A
Chemistry & industry
Applications
UsesIsotope labelled Acetic Acid is a common chemical reagent used in a multitude of organic reactions. It is the primary constituent of vinegar, contributing to its distinct taste and odor. It is used in the synthesis of dye-sensitized solar cells.
General DescriptionAcetic acid-d (Monodeuteroacetic acid) is the monodeuterated form of acetic acid, in which the hydrogen atom of hydroxyl group has been replaced by deuterium (D). Infrared spectral studies of its vapors at 150°C in the range of 2-25μ have been reported.
Upstream & downstream products
Upstream raw materials
Suppliers60 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
河南赢创生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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