Basic information
- CAS
111-35-3- Standard SMILES
CCOCCCO- InChIKey
XHMWPVBQGARKQM-UHFFFAOYSA-N- Molecular formula
- C5H12O2
- Average molar mass
- 104.15 g/mol
- Monoisotopic mass
- 104.08372962
Overview
3-ethoxy-1-propanol appears as a clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
Names & identifiers
- Preferred name
- 3-Ethoxy-1-propanol
- IUPAC
- 3-ethoxypropan-1-ol
- English name
- 3-Ethoxy-1-propanol
- Molecular formula
- C5H12O2
- Molecular weight
- 104.15
Names & synonyms
3-Ethoxy-1-propanol3-ethoxypropan-1-ol111-35-31-Propanol, 3-ethoxy-3-ethoxypropanol3-Ethoxypropane-1-olPropylene glycol 3-ethyl etherPropylene glycol beta-monoethyl ether28V3RKF4Z1NSC-78799DTXSID4073124CHEBI:87489
Show more names
Propylene glycol monoethyl etherEthoxy Proponol1,3-Ethoxypropanol3-ethoxy-1-propano
RefChem:93781DTXCID8033194203-861-2Dowanol PEATMFCD00002948Propanol, 3-ethoxyPropylene glycol .beta.-monoethyl etherPropylene glycol monoethyl ether, .beta.
Database identifiers
- CAS
111-35-3- PubChem CID
- 8109
- DTXSID
DTXSID4073124- ChEBI
CHEBI:87489- UNII
- 28V3RKF4Z1
- EC Number
- 203-861-2
- Nikkaji
- J35.196B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 29.3
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Density0.904 at 68 °F (NTP, 1992) - Less dense than water; will float
Solubilitygreater than or equal to 100 mg/mL at 64 °F (NTP, 1992)
Flash Point130 °F (NTP, 1992)
Boiling Point320 to 322 °F at 760 mmHg (NTP, 1992)
Vapor Pressure8.2 mmHg at 77 °F (NTP, 1992)
Physical Description3-ethoxy-1-propanol appears as a clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
Physicochemical properties
- Melting point
- -90 °C · -90°C (estimate)
- Boiling point
- 160 · 160-161 °C(lit.)
- Density
- 0.904 g/mL · 0.904 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 130 °F · 130 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- liquid
- pka
- 14.9 · 14.90±0.10(Predicted)
- Specific Gravity
- 0.904 · 0.904
- Odor
- fruit
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- 10 g/100 · >=10 g/100 mL at 18 º
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
- InChIKey
- XHMWPVBQGARKQM-UHFFFAOYSA-N
- SMILES
- CCOCCCO
- CAS DataBase Reference
- 111 · 111-35-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 28 V3RKF4Z1 · 28V3RKF4Z1
- NIST Chemistry Reference
- 1 · 1-Propanol, 3-ethoxy-(111-35-3)
- EPA Substance Registry System
- 3 · 3-Ethoxy-1-propanol (111-35-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319-H332
- Precautionary statements
- 210 · P210-P304+P340+P312-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-20/21/22-36
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 1987 · UN 1987 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 5075000 · UB5075000
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 2909498090 · 2909498090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 InhalationEye · Acute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Propanol, 3-ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelFlammable Liquid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes and lungs. It may be narcotic in high concentrations.
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity Profile
3-ETHOXY-1-PROPANOL is an ethoxy-alcohol derivative. The ether is relatively unreactive. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert alcohols to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsHighly flammable. Water soluble.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- UB5075000
- ridadr
- UN 1987 3/PG 3
- hs_code
- 2909498090
- risk_code
- 10-20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H319-H332
- Hazard Classifications
- Acute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3
- Precautionary statements
- P210-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses3-Ethoxy-1-propanol is used in the synthesis of [1,2,4]triazolo[1,5-a]pyrimidines as anticancer agents. It is also used to prepare N-substituted [(carboxymethyl)phenoxy]ethyl benzoxazinones as PPARγ agonists and antidiabetic (type 2) agents.
General DescriptionA clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
Upstream & downstream products
Downstream products
Suppliers97 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
泰州葛林美克医药科技有限公司15366892466
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海毕楷科技有限公司18516304666
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
泰州葛林美克医药科技有限公司0514-86654616 15366892466 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
山东崇成能源科技有限公司18253333366 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
杭州汗科化工有限公司0571-88039185
上海源叶生物科技有限公司13636370518 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
Additional notes
DefinitionChEBI: A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3.
Related reactions
22 records
Compound notes
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