Completing data — usually done within a minute
Basic information
- Standard SMILES
CCC(=O)OC(C)(C)C1CC=C(C)CC1- InChIKey
CMKQOKAXUWQAHG-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.317 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- Terpinyl propionate
- IUPAC
- 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate
- English name
- TERPINYL PROPIONATE
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
FEMA 30533-Cyclohexene-1-methanol,.alpha.,.alpha.,4-trimethyl-,propanoateTerpenyl propionateTERPINYL PROPIONATETerpineol propionateTerpinyl n-propionatea-Terpinyl propionateALPHA-TERPINYLPROPIONATETerpinyl propionate esterp-Menth-1-en-8-ylpropionat
Database identifiers
- CAS
62395-45-3、80-27-3- PubChem CID
- 62328
- DTXSID
DTXSID3044833- ChEMBL
CHEMBL3188389- ChEBI
CHEBI:174065- UNII
- 7JE9M43B3K
- EC Number
- 201-266-2、263-530-3
- Nikkaji
- J141.005I
Properties
Physicochemical properties
- Boiling point
- 240 °C · 240 °C(lit.)
- Density
- 0.949 g/mL · 0.949 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.464(lit.)
- FEMA
- 3053 · 3053 | TERPINYL PROPIONATE
- FLAVIS Number
- 9.142 · 09.142 | Terpinyl propionate
- Flash point
- 71 °C · 71 °C
- solubility
- Practically insoluble in water, soluble in alcohol and oils
- form
- oily liquid
- Specific Gravity
- 0.95 · 0.95
- color
- Colorless
- Odor
- 100 % · at 100.00 %. herbal green old wood citrus geranium tropical
- Odor Type
- green
- JECFA Number
- 369 · 369
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.2 · 4.20
- Substances Added to Food (formerly EAFUS)
- TERPINYL PROPIONATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 JE9M43B3K · 7JE9M43B3K
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate (80-27-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- Toxicity
- 50 value · Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
Safety & regulation
Safety data
- wgk
- 2
- tsca
- TSCA listed
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
OccurrenceReported found in citrus fruit and celery; also the racemic form (dl) has been identified in cardamom.
UsesAlpha-Terpineol propanoate has acquired fame as a modifier for Lavender and Bergamot but it is really no match for Linalyl acetate or Ethyl Iinalyl acetate except that the Terpinyl propionate is very stable in alkaline media. It is therefore often used in soap, where its low cost is also appreciated. It finds a little use in fruit complex flavor compositions, mainly in Citrus fruits, Lime, Spice (Cardamom) etc. The concentration will be about 1 to 10 ppm in the finished product.
Preparation methods
PreparationBy esterification of terpineols.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Additional notes
DefinitionChEBI: Alpha-Terpineol propanoate is a p-menthane monoterpenoid.
Related reactions
0 records
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Linked notes
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