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Basic information
- CAS
2153-26-6- Standard SMILES
CC1=CCC(C(C)(C)OC=O)CC1- InChIKey
IPYLQIQMGUZFCK-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.263 g/mol
- Monoisotopic mass
- 182.13067982
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-formate
- IUPAC
- 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl formate
- English name
- TERPINYL FORMATE
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
FEMA 3052TERPINYL FORMATEALPHA TERPINYL FORMATEp-1-Menthen-8-ylformatep-menth-1-en-8-ylformatep-Menth-1-en-8-ylformiatFormic acid p-menth-1-en-8-yl esterTerpinyl formate, mixture of isomersp-menth-1-en-8-ol,formate(mixedisomers)TERPINYL FORMATE 97+% MIXTURE OF &
Database identifiers
- CAS
2153-26-6- PubChem CID
- 16537
- DTXSID
DTXSID20862849- ChEMBL
CHEMBL4162810- ChEBI
CHEBI:168454- UNII
- GTJ0954O31
- EC Number
- 218-444-0
- Nikkaji
- J183.097J
Properties
Physicochemical properties
- Boiling point
- 220 °C · 220 °C(lit.)
- Density
- 0.981 g/mL · 0.981 g/mL at 25 °C(lit.)
- FEMA
- 3052 · 3052 | TERPINYL FORMATE
- refractive index
- 20 · n20/D 1.471(lit.)
- FLAVIS Number
- 9.081 · 09.081 | alpha-Terpinyl formate
- Flash point
- 207 °F · 207 °F
- color
- A colourless liquid.
- Odor
- 100 % · at 100.00 %. floral lavender citrus fruity cypress herbal woody
- Odor Type
- floral
- JECFA Number
- 367 · 367
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.26 · 3.26
- Substances Added to Food (formerly EAFUS)
- TERPINYL FORMATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 954 O31 · GTJ0954O31
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, formate (2153-26-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OT0220000
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
OccurrenceReported present in Ceylon cardamom essential oil.
UsesTerpinyl formate finds some use in Citrus-colognes, in support of Neroli notes, Lavender-Bergamot-notes, green notes, etc. It is also used in certain topnote compositions with Citrus oils and "green" materials.
Preparation methods
PreparationBy cold formylation of terpineol, using formic-acetic anhydride (Arctander, 1969). Uses: In public use before the 1920s. Use in fragrances in the USA amounts to approximately 10001b/yr.
Suppliers6 total
梯希爱（上海）化工贸易有限公司021-61109150 · [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]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Alpha-Terpineol formate is a p-menthane monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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