Perillaldehyde

HCID 16441CAS 2111-75-3
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(C)C1CC=C(C=O)CC1
InChIKey
RUMOYJJNUMEFDD-UHFFFAOYSA-N
Molecular formula
C10H14O
Average molar mass
150.22 g/mol
Monoisotopic mass
150.10446507

Names & identifiers

Preferred name
Perillaldehyde
IUPAC
4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
English name
L-Perillaldehyde
Molecular formula
C10H14O
Molecular weight
150.22

Names & synonyms

PERILLALDEHYDEPerillyl aldehyde2111-75-3PerillalPerillic aldehydeP-Mentha-1,8-dien-7-al1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-4-prop-1-en-2-ylcyclohexene-1-carbaldehydeFEMA No. 35574-Isopropenyl-1-cyclohexene-1-carboxaldehyde6EQL0XA86GDTXSID6051855
Show more names
(S)-P-MENTHA-1,8-DIEN-7-ALL(-)-PERILLALDEHYDEPerilladehydeL-PERILLALDEHYDEL-PERILLALDEHYDE(S)-PERILLALDEHYDE(R)-l-Perillaldehyde(S)-(-)-PERILLALDEHYDE
NSC-138642CHEBI:154214-mentha-1,8-dien-7-alRefChem:860315DTXCID9030412218-302-8Perilla aldehydeDihydrocuminyl aldehyde

Database identifiers

CAS
2111-75-3
PubChem CID
16441
DTXSID
DTXSID6051855
ChEMBL
CHEMBL469537
ChEBI
CHEBI:15421
UNII
6EQL0XA86G
EC Number
218-302-8
Nikkaji
J2.142C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
25 °C · <25 °C
Boiling point
104 · 104-105 °C10 mm Hg(lit.)
Density
0.967 g/mL · 0.967 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.509
FEMA
3557 · 3557 | P-MENTHA-1,8-DIEN-7-AL
FLAVIS Number
5.117 · 05.117 | p-Mentha-1,8-dien-7-al

Safety & regulation

Safety data

F
10
wgk
3
tsca
TSCA listed
rtecs
GW2967200
Toxicity
LD50 in mice (g/kg): 1.72 orally; in guinea pigs (g/kg): >5 dermally (Food Chem. Toxicol.)
risk_code
36/37/38

Chemistry & industry

Applications · 2 items

OccurrenceReported found in essential oils of bergamot, bilberries, gingergrass, lavender oil, loganberries, spearmint oil, Scotch spearmint oil, citrus peel oils, citrus juices, guava, blackberry, ginger, tea, calamus, caraway seed and mastic gum leaf oil, lime juice, lime peel oil, peppermint and black tea.

Uses(±)-Perillaldehyde can be used as a bateriostatic agent.

Preparation methods

PreparationBy chromic oxidation of perilla alcohol.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]

Additional notes

DefinitionChEBI: An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4.

Related reactions

2 records
New reaction record

Linked notes

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