Basic information
- CAS
623-36-9- Standard SMILES
CCC=C(C)C=O- InChIKey
IDEYZABHVQLHAF-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Overview
2-Methyl-2-pentenal has been reported in Zea mays, Opuntia ficus-indica, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Methyl-2-pentenal
- IUPAC
- 2-methylpent-2-enal
- English name
- 2-Methyl-2-pentenal
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
2-Methylpent-2-enal2-Pentenal, 2-methyl-DTXSID3052301alpha-Methyl-beta-ethylacroleinbeta-Ethyl-alpha-methylacroleinFEMA No. 3194DTXCID0030873947O3MC76MNSC-9464RefChem:910041210-789-52-Methyl-2-pentenal
Show more names
FEMA 3194Methyl-2-pente2-MethylpentenalCH3CH2CH=C(CH3)CHO2-methyl-2-pentena2-METHYL-2-PERTENAL2-Pentenal,2-methyl-2-METHYL-2-PENTENE-AL
623-36-92-methyl-pent-2-enal2-Methyl-2-penten-1-al2-methyl 2-pentenalSCHEMBL191299orb2893647SCHEMBL2164382SCHEMBL17581105
Database identifiers
- CAS
623-36-9- PubChem CID
- 12177
- DTXSID
DTXSID3052301- EC Number
- 210-789-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (2-Methyl-2-pentenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.855-0.865
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in ether, benzene, methanol
soluble (in ethanol)
Boiling Point137 °C
Refractive Index1.445-1.453
Physical Descriptioncolourless to yellow-green mobile liquid; powerful grassy green, slightly fruity aroma
Physicochemical properties
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1582 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Pentenal, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 08-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19108
2-Pentenal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SB2100000
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29121990
- risk_code
- 10-20-36-43-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- Xn
- safety_code
- 26-39-37-27-24
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
2-Methyl-2-pentenal
2-Methyl-2-pentenal; 2-Methylpent-2-enal; 2-Pentenal, 2-methyl-; 2,4-Dimethylcrotonaldehyde; α-Methyl-β-ethylacrolein; alpha-Methyl-beta-ethylacrolein
IFRA_STD_228.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Pentenal, 2-methyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.0014 [Products applied to the lips]
0.00041 [Products applied to the axillae]
0.0083 [Products applied to the face/body using fingertips]
0.0077 [Products related to fine fragrances]
0.0020 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.0020 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
Description2-Methyl-2-pentenal has a powerful grassy-green, slightly fruity odor and can be prepared synthetically by aldolic condensation of propionaldehyde.
OccurrenceReported found as a volatile component in onion. Also reported found in roasted onion, roasted peanut, cranberry, guava, grapes, grape brandy, papaya, shallots, leek, chive, fried potato, mustard, parmesan cheese, fish, roast chicken, cooked beef, beer, cognac, coffee, tea, peanut, Japanese plum, mango, walnut, prickly pear, pumpkin, oysters, lamb’s lettuce and maté
UsesGB 2760-1996 specifies it as a permitted food flavoring. 2-Methyl-2-pentenal is also an intermediate for pyrethroids and permethrin.
Related reactions
45 records
Compound notes
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