Completing data — usually done within a minute
Basic information
- Standard SMILES
CCCCCCCOC=O- InChIKey
XEAMDSXSXYAICO-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.214 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- Formic acid, heptyl ester
- IUPAC
- Heptyl formate
- English name
- HEPTYL FORMATE
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
Heptanol, formateFEMA 2552HeptylformiatHEPTYL FORMATEn-Heptyl formateheptanol,formateheptyl methanoaten-heptylmethanoaten-Heptyl methanoateForMic acid ester G
Database identifiers
- CAS
112-23-2- PubChem CID
- 8169
- DTXSID
DTXSID9059416- ChEMBL
CHEMBL2270392- ChEBI
CHEBI:179932- UNII
- PU6O623G48
- EC Number
- 203-949-0
- Nikkaji
- J34.717E
Properties
Physicochemical properties
- Melting point
- -46.4 °C · -46.4°C
- Boiling point
- 178 °C · 178 °C(lit.)
- Density
- 0.882 g/mL · 0.882 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.413(lit.)
- FEMA
- 2552 · 2552 | HEPTYL FORMATE
- FLAVIS Number
- 9.074 · 09.074 | Heptyl formate
- Flash point
- 140 °F · 140 °F
- Odor
- 100 % · at 100.00 %. green waxy floral herbal plum apple cucumber
- Odor Type
- green
- Thermal Conductivity
- 0.132 W/ · 0.132 W/(m·K) at 25 ℃
- JECFA Number
- 121 · 121
- Henry's Law Constant
- 6.7 · 6.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.96 · 2.96
- Substances Added to Food (formerly EAFUS)
- HEPTYL FORMATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 O623G48 · PU6O623G48
- EPA Substance Registry System
- Formic acid, heptyl ester (112-23-2)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38-41
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3272 · UN 3272 3/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 8582000 · LQ8582000
- TSCA
- TSCA listed
Safety & regulation
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LQ8582000
- ridadr
- UN 3272 3/PG 3
- risk_code
- 36/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H226-H315-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionHeptyl formate has a fruity-floral odor with an orris-rose undertone and a sweet taste reminiscent of plum. May be synthesized from n-heptyl bromide and formamide at the boil.
OccurrenceReported found in kumquat peel oil and beer
UsesHeptyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apricot, pear, and plum with applications in beverages, ice cream, candy, and baked goods at 1–4 ppm.
UsesArtificial fruit essences.
Preparation methods
PreparationFrom n-heptyl bromide and formamide at the boil.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Additional notes
DefinitionChEBI: Heptyl formate is a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…